MATCH MATCH Commun. Math. Comput. Chem.

81 (2019) 249-311
Communications in Mathematical
and in Computer Chemistry ISSN 0340 - 6253

Harmonic Index and its Generalizations:

Extremal Results and Bounds
Akbar Ali1 , Lingping Zhong2 , Ivan Gutman3
1
Knowledge Unit of Science, University of Management & Technology,
Sialkot, Pakistan
[email protected]
2
Department of Mathematics, Nanjing University of Aeronautics and Astronautics
Nanjing 210016, P. R. China
[email protected]
3
Faculty of Science, University of Kragujevac,
P.O.Box 60, 34000 Kragujevac, Serbia
[email protected]

(Received April 14, 2018)

Abstract

P The general sum–connectivity

α
index χα of a graph G is defined as χα (G) =
uv∈E(G) (du + dv ) , where uv is the edge connecting the vertices u and v, du is
the degree of the vertex u, and α is a real number. Research on χα began in 1972,
when the first Zagreb index χ1 was introduced within a study of total π-electron
energy. Later, in 1987, the harmonic index H(= 2χ−1 ) appeared in connection
with some conjectures, generated by the computer program Graffiti. The sum–
connectivity index χ−1/2 , was proposed in 2009 and eventually extended to the
general sum–connectivity index χα , which not only includes all the aforementioned
graph invariants but also the hyper–Zagreb index χ2 . In this survey, we outline
extremal results and bounds involving the mentioned invariants.

1 Introduction
Throughout this survey paper, the term “graph” refers to a simple and finite graph, unless
stated otherwise. Let G be such a graph, V (G) its vertex set and E(G) its edge set. The
number of vertices, |V (G)| = n is the order of G. The number of edges |E(G)| = m is
the size of G. A graph with n vertices and m edges is referred to as an (n, m)-graph. The
edge connecting the two vertices u and v will be denoted by uv. The degree of a vertex
 -250-

u, denoted by du , is the number of vertices adjacent to u. If du = 0, then u is an isolated

vertex. If du = 1 then u is a pendent vertex, whereas uv is a pendent edge.
Additional definitions are found in Section 2. For notation and terminology the readers
may also consult the books [27, 86, 91, 184].
The graphs representing molecules are said to be molecular graphs. In these graphs,
vertices correspond to the atoms while edges represent the covalent bonds between atoms
in the underlying molecule [86, 184]. Graph invariants that found applications in chem-
istry, especially in QSPR and QSAR studies, are usually referred to as topological in-
dices [46, 58, 174, 175].
The Platt index, proposed for predicting properties of paraffins [146], is one of the
oldest degree–based topological index. It is defined as
X
P l(G) = (du + dv − 2) .
uv∈E(G)

Note that du + dv − 2 is the degree of the edge uv, namely the number of edges incident
to uv.
The Platt index can be written [62, 138] as

P l(G) = M1 (G) − 2m , (1)

where m is the size of the graph G and M1 (G) is the first Zagreb index,
X X
M1 (G) = d2u = (du + dv ) .
u∈V (G) uv∈E(G)

It was introduced in 1972 within the study of total π-electron energy of alternant hydro-
carbons [89]. Certainly, both the topological indices M1 and P l have same properties,
due to the identity (1).
The first Zagreb index is one of the most thoroughly examined degree–based graph
invariants. Details about the (chemical and mathematical) properties of the first Zagreb
index can be found in the surveys [13, 28, 29, 83, 84, 87, 138] and in the references quoted
therein.
Inspired by the work done on the first Zagreb index M1 , Zhou and Trinajstić [214]
proposed the following generalized version of M1 :
X
χα (G) = (du + dv )α
uv∈E(G)
 -251-

where α is a real number. It is customary to require that α be non-zero, because the case
α = 0 is trivial: χ0 (G) = m for all graphs G.
The topological index χα generalizes also the so called sum–connectivity index X
(which is equal to χ−1/2 ), introduced in [213], and hence the name general sum–connectivity
index.
The sum–connectivity index is also a variant of the well–known Randić index [155],
which was proposed for measuring the extent of branching of certain chemical compounds.
The Randić index of a graph G is defined as
X
R(G) = (du dv )−1/2 .
uv∈E(G)

The sum–connectivity index and Randić index correlate well among themselves and the
predictive abilities of these topological indices are practically same in most of the cases;
for example, see [81, 118–121, 139, 188]. It should be mentioned here that the topological
index χ2 was proposed in [167], under the name hyper–Zagreb index.
In 1987, the so called harmonic index appeared within some conjectures, generated
by the computer program Graffiti [73]. The harmonic index is usually denoted by H and
this topological index coincides with the graph invariant 2 χ−1 . Till 2011, the harmonic
index attracted little attention. But, after the paper [202] was published, the situation
changed and many publications on this topological index resulted and are still appearing.
At this point it should be noted that in the literature there is another topological
index [136], which was also proposed under the name harmonic index, but whose definition
is different from that of H.
Three fundamental and most studied problems in the theory of topological indices,
considered in mathematical chemistry, ask for the

• extremal structures, under certain constraints, that maximize or minimize the given
topological index;

• best possible lower and upper bounds for the given topological index;

• relations between different topological indices.

In this survey, we attempt to gather results pertaining to the above mentioned issues,
involving the harmonic index H, sum–connectivity index X, hyper–Zagreb index χ2 and
general sum–connectivity index χα . Certainly, several result concerning the topological
 -252-

index χα recovers also the results regarding the first Zagreb index (and hence the Platt
index). Moreover, due to the recently published updated surveys on the first Zagreb
index [13, 28, 29], we do not include results that are concerned only with the first Zagreb
index.
The remaining part of this survey is organized as follows. The main definitions are
given in the next section. Sections 3, 4, and 5 are devoted, respectively, to results on the
harmonic index H, sum–connectivity index X, and general sum–connectivity index χα
(including the hyper–Zagreb index χ2 ).

2 Preliminaries
Most of the well–known degree–based topological indices can be obtained from the fol-
lowing general setting [95, 187]:
X
BID(G) = f (du , dv ), (2)
uv∈E(G)

where f is a non-negative real valued symmetric function of du and dv . The topological

indices of the form (2) will be referred to as bond incident degree indices [185], BID indices
in short. In Table 2, we list some choices of the function f for which Eq. (2) corresponds
to topological indices considered in the current literature.
The first Zagreb coindex is defined [61] as
X
M 1 (G) = (du + dv )
uv6∈E(G);u6=v

which can also be obtained from (2) because of the identity [45]:
X
M 1 (G) = [2 (|V (G)| − 1) − (du + dv )] .
uv∈E(G)

The average distance µ(G) of a connected graph G is defined [63] as

1 X
µ(G) = n

d(u, v) (3)
2 {u,v}⊆V (G)

where d(u, v) denotes the distance (that is, length of the shortest path) between the
vertices u and v.
The sum–connectivity matrix S(G) of a non-trivial graph G is defined [215] as
S(G) = [si,j ]n×n
 -253-

The function f (du , dv ) Eq. (2) corresponds to symbol

du + dv first Zagreb index [89] M1
−1
2(du + dv ) harmonic index [73] H
−1/2
(du + dv ) sum–connectivity index [213] X
2
(du + dv ) hyper–Zagreb index [167] χ2
α
(du + dv ) general sum–connectivity index [214] χα
−3/2 −3/2 0
(du ) + (dv ) zeroth–order connectivity/Randić index [106] R
2 2
(du ) + (dv ) forgotten topological index [78] F
α−1 α−1 0
(du ) + (dv ) general zeroth–order Randić index [98] Rα
du dv second Zagreb index [88] M2
−1/2
(du dv ) Randić index [155] R
−1
(du dv ) modified second Zagreb index [138] M2∗
(du dv )α general Randić index [25] Rα
q
du +dv −2
du dv
atom–bond connectivity index [72] ABC
√
2 du dv (du + dv )−1 first geometric–arithmetic index [186] GA
−1
du dv (du + dv ) inverse sum indeg index [187] ISI

Table 1: Some topological indices considered in the present survey paper. The parameter
α is a non-zero real number. Here, it should be mentioned that the modified second
Zagreb index M2∗ coincides with the first–order overall index [26, 138], Rα is also referred
to as variable second Zagreb index (see [131]), and 0Rα coincides with both the first
general Zagreb index [110] and variable first Zagreb index [131].

where 
(dvi + dvj )−1/2 if vi vj ∈ E(G)
si,j =
0 otherwise.


It should be mentioned that trace of the matrix S(G)2 coincides with the harmonic
index [215].
Pn
The sum Si = j=1 si,j is known as the sum of the i-th row of the sum–connectivity
matrix S(G) of an n-vertex graph G [198].
The sum of absolute values of all eigenvalues of the sum–connectivity matrix S(G) is
referred to as the sum–connectivity energy (SE) [215].
If G is an n-vertex graph, then the sum–connectivity Estrada index (SEE) of G is
 -254-

defined [198] as
n
X
SE(G) = eµi
i=1

where µ1 , µ2 , . . . , µn are the eigenvalues of the sum–connectivity matrix S(G).

The eccentricity of a vertex v in a graph is the distance from v to a vertex farthest
from v. The radius of a graph G is the minimal vertex eccentricity in G. The average
eccentricity of a graph G, denoted by avec(G), is the mean value of eccentricities of all
vertices of G.
The diameter of a graph G is the greatest distance between any pair of vertices of G.
The minimum number of edges of a (connected) graph G whose removal makes G
acyclic is known as the cyclomatic number and it is denoted by ν.
The chromatic number of a graph G, denoted by χ(G), is the minimum number of
colors needed to color the vertices of G so that no two adjacent vertices have the same
color. The total chromatic number of a graph G is the minimum number of colors needed
to color the elements (that is, the vertices and edges) of G so that incident elements as
well as the adjacent elements have distinct colors.
The clique number of a graph G, denoted by ω(G), is the maximal order of a complete
subgraph of G.
If D is the diagonal matrix of vertex degrees of a graph G and A is the adjacency
matrix of G, then the matrix D + A is called signless Laplacian matrix.
A matching in a graph is a set of pairwise non-adjacent edges.
In a graph G, a set D ⊆ V (G) is a dominating set if every vertex of the set V (G) \ D
has a neighbor in D. A minimal dominating set is one which consists of a least number
of vertices. The domination number is the number of vertices in a minimal dominating
set.
Any subset V 0 of the vertex set of a graph G is said to be an independent set if
the vertices of V 0 are pairwise non-adjacent. The independence number of a graph G is
defined as the cardinality of a maximal independent set in G.
A tree resulting in a path after deletion of all its pendent vertices is known as a caterpil-
lar. Let d ≥ 3, pi ≥ 0 for 2 ≤ i ≤ d − 2 and p1 , pd−1 ≥ 1. Denote by M S(p1 , p2 , . . . , pd−1 )
the caterpillar consisting of a path v1 v2 · · · vd−1 with pi pendent vertices attached at vi
for 1 ≤ i ≤ d − 1.
A tree containing exactly one branching vertex is said to be a starlike tree. Denote by
 -255-

Sn (r1 , r2 , . . . , rk ) the n-vertex starlike tree whose pendent paths have lengths r1 , r2 , . . . , rk ,
where r1 ≥ r2 ≥ · · · ≥ rk and r1 + r2 + · · · + rk + 1 = n.
Following Hosseini et al. [97], we define a proper Kragujevac tree: a tree possessing a
central vertex of degree at least 3, to which branches of the form B1 and/or B2 and/or
B3 and/or . . . Bk are attached, where the branches B1 , B2 , . . ., Bk are depicted in Figure
1.
B1 B2 B3 Bk

| {z }
k
Figure 1: The branches of a proper Kragujevac tree.

Denote by Sn,p the tree obtained from the path Pn−p+1 by attaching p − 1 pendent
vertices to one pendent vertex of Pn−p+1 .
With given vertex degrees, the greedy tree is achieved through the following “greedy
algorithm” [189]:
(i) Label the vertex with the largest degree as v (the root);
(ii) Label the neighbors of v as v1 , v2 , . . . , assign the largest degrees available to them
such that dv1 ≥ dv2 ≥ · · · ;
(iii) Label the neighbors of v1 (except v) as v1,1 , v1,2 , . . . such that they take all the largest
degrees available and that dv1,1 ≥ dv1,2 ≥ · · · , then do the same for v2 , v3 , . . .;
(iv) Repeat (iii) for all the newly labeled vertices, always start with the neighbors of the
labeled vertex with the largest degree whose neighbors are not labeled yet.
Given a non-increasing degree sequence (d1 , d2 , . . . , dm ) of internal vertices, the alter-
nating greedy tree is constructed through the following recursive algorithm [189]:
(i) If m−1 ≤ dm , then the alternating greedy tree is simply obtained by a tree rooted at r
with dm children, dm −m+1 of which are pendents and the rest with degrees d1 , . . . , dm−1 ;
(ii) Otherwise, m − 1 ≥ dm + 1. We produce a subtree T1 rooted at r with dm − 1 children
with degrees d1 , . . . , ddm−1 ;
(iii) Consider the alternating greedy tree S with degree sequence (ddm , . . . , dm−1 ), let v
be a pendent vertex with the smallest neighbor degree. Identify the root of T1 with v.
A quasi–tree is a graph obtained from a tree T by adding one vertex u and edges
 -256-

joining u to some positive number of vertices in T .

A connected graph G is a cactus if and only if every edge of G lies on at most one
cycle.
Denote by H(n, k; n1 , n2 , . . . , nk ) the unicyclic graph obtained from a cycle Ck with
ni pendent vertices attached at vi for 1 ≤ i ≤ k, where Ck = v1 v2 · · · vk v1 , ni ≥ 0 and
n1 + · · · + nk = n − k.
k1 ,k2 ,...,kt
For 3 ≤ k ≤ n − 2, let Un,k be the unicyclic graph obtained from the cycle Ck by
attaching t paths of lengths k1 , k2 , . . . , kt to one vertex of Ck such that k1 + k2 + · · · + kt =
n − k. Let
1 k ,k2 ,...,k∆−2
F1 = {Un,3 : 1 ≤ k1 , k2 , . . . , k∆−2 ≤ 2}

and
1 k ,k2 ,...,k∆−2
F2 = {Un,k : k ≥ 3 and k1 , k2 , . . . , k∆−2 ≥ 2}.

Let u be a fixed pendent vertex of the n-vertex star graph Sn , n ≥ 4. Denote by Hn,r
the graph obtained from Sn by adding r edges between u and r other pendent vertices.
∗
Let K1,n−1 ∼ ∗
= K1,n−1 and for k ≥ 2, let Kk,n−k be the graph obtained from the
complete bipartite graph Kk,n−k by adding an edge between every pair of (different)
vertices of degree n − k.
A graph µ∗ (G) obtained from a graph G by applying the transformation introduced
in [135] is known as Mycielskian of G. The vertex set of µ∗ (G) consists of the disjoint
union V (G) ∪ V 0 (G) ∪ {w}, where V 0 (G) = {v 0 : v ∈ V (G)}, and the edge set of µ∗ (G) is
the set E(G) ∪ {v 0 u : vu ∈ E(G)} ∪ {v 0 w : v 0 ∈ V 0 (G)}.
Let (d0 , d1 , . . . , dn−1 ) be a non-increasing degree sequence of a connected graph G with
vertex set V (G) = {v0 , v1 , . . . , vn−1 }, where di = dvi for i = 0, 1, . . . , n − 1. Following
Li et al. [108], we introduce an ordering of the vertices of G induced by breadth–first
search (BFS): create a sorted list of vertices beginning with v0 ; append all neighbors
u1 , u2 , . . . , ud0 of v0 sorted by decreasing degrees; then append all neighbors of u1 that
are not already in the list, also sorted by decreasing degrees; continue recursively with
u2 , u3 , . . ., until all vertices of G are processed. In this way, we get a rooted graph, with
root v0 . The distance d(v, v0 ) is called the height h(v) of a vertex v ∈ V (G).
Let G be a connected rooted graph with root v0 . A well ordering ≺ of the vertices is
called breadth–first searching ordering [24,200] with non-increasing degrees (BFS ordering
for short) if the following conditions hold for all vertices u, v ∈ V (G):
 -257-

(i) u ≺ v implies h(u) ≤ h(v);

(ii) u ≺ v implies d(u) ≥ d(v);
(iii) let uv, xy ∈ E(G) and uy, xv 6∈ E(G) with h(u) = h(x) = h(v) − 1 = h(y) − 1. If
u ≺ x , then v ≺ y.
A graph having a BFS ordering of its vertices is known as a BFS graph.
Denote by xa,b the number of edges, in a graph G, connecting the vertices of degrees
a and b.
A k-polygonal system is a connected geometric figure obtained by concatenating con-
gruent regular k-polygons side to side in a plane in such a way that the figure divides
the plane into one infinite (external) region and a number of finite (internal) regions,
and all internal regions must be congruent regular k-polygons. In a k-polygonal system,
two polygons are said to be adjacent if they share a side. The characteristic graph (or
dualist or inner dual ) of a given k-polygonal system consists of vertices corresponding
to k-polygons of the system; two vertices are adjacent if and only if the corresponding
k-polygons are adjacent. A k-polygonal system whose characteristic graph is the path
(respectively, tree) is called k-polygonal chain (respectively, k-polygonal catacondensed
system). In a k-polygonal chain, a k-polygon having one (respectively two) neighboring
k-polygon(s) is called terminal (respectively, non-terminal ) k-polygon. Any k-polygonal
system can be represented by a graph, in which the edges represent sides of a k-polygon
while the vertices correspond to the points where two sides of a k-polygon meet. In
what follows, by a k-polygonal system we always mean the graph corresponding to the
k-polygonal system.
A 3-polygonal (triangular) chain in which every vertex has degree at most 4 is said
to be a linear triangular chain.
In a 4-polygonal (polyomino) chain, a non-terminal square having a vertex of degree 2
is known as a kink. In a 5-polygonal (pentagonal) chain, a kink is a non-terminal pentagon
which contains an edge connecting the vertices of degree 2. A linear polyomino/pentagonal
chain is the one, without kinks. A zigzag polyomino/pentagonal chain is the one, con-
sisting of only kinks and terminal squares. A segment in a polyomino/pentagonal chain
is a maximal linear sub–chain, including the kinks and/or terminal squares at its ends.
The number of squares/pentagons in a segment is called its length. A segment is said to
be external (internal, respectively) segment if it contains (does not contain, respectively)
 -258-

terminal square/pentagon.
The 6-polygonal (hexagonal) systems with equal number of hexagons and equal num-
ber of internal vertices are known as isomeric. Isomeric hexagonal systems have also
equal number of vertices and equal number of edges. Paths along the perimeter of a
hexagonal system having degree sequences (2, 3, 2), (2, 3, 3, 2), (2, 3, 3, 3, 2), (2, 3, 3, 3,
3, 2) are known as fissure, bay, cove, fjord, respectively. Sum of the number of fissures,
bays, coves, and fjords of a hexagonal system S is called the number of inlets of S.
In a hexagonal system, let b, c, f be the numbers of bays, coves, fjords, respectively.

3 The Harmonic Index

In this section, we collect results concerning the harmonic index H which are related to
the bounds and extremal properties of H. Because of the fact that H = 2χ−1 , various
such type of results follow from Section 5, concerning general sum–connectivity index χα ,
which covers the value α = −1 .

3.1 Harmonic index on trees

To the best of our knowledge, [202] is the first paper on extremal properties of the
harmonic index H. Zhong [202] identified the unique graphs with extremal H values
among n-vertex trees.

Theorem 1. [202] If n ≥ 3, then among n-vertex connected graphs (and hence, among
n-vertex trees) the star is the unique graph with minimal H value, equal to 2(n − 1)/n.
If we replace “connected graphs” with “graphs without isolated vertices” in Theorem 1
then the resulting (generalized) statement remains true [211]. Theorem 1 was proven also
in [38] independently. Tomescu and Kanwal [182] determined trees with first five mini-
mum H values among n-vertex trees, see Theorem 134. Trees with first two (respectively,
first four) minimum H values were determined also in [109] (respectively, [53]).

Theorem 2. [202] If n ≥ 4, then only the path graph Pn has maximum H value (which
n−3
is equal to 2
+ 43 ) among n-vertex trees.
Theorem 2 was proved by an alternative way in [99, 109]. Ilić [100] proved Theorem 2
in a short way and determined the trees with second maximum H value among n-vertex
 -259-

trees, using a graph transformation which may be helpful in characterizing the graphs
with maximum H value among connected (n, m)-graphs. Deng et al. [52] characterized
the trees with third, fourth and fifth maximum H values from the class of all n-vertex
trees (for sufficiently large n).

Theorem 3. [100] If n ≥ 7, then only the starlike trees of the form Sn (r1 , r2 , r3 ), where
n−7 3
r1 ≥ r2 ≥ r3 ≥ 2, have second maximum H value (which is equal to 4
+ 5
+ 1) among
n-vertex trees.

From Theorem 3, it follows that only the starlike trees of the form Sn (r1 , r2 , r3 ), where
r1 ≥ r2 ≥ r3 ≥ 2, have maximum H value among n-vertex starlike trees. This fact was
proved also in [22].
Fan et al. [76] determined the graphs with extremal H values from several classes of
trees. The next three results were proved in [76, 108] independently.

Theorem 4. [76, 108] Among n-vertex trees with domination number γ, only the tree
T 0 (n, γ) has minimum H value, where T 0 (n, γ) is the tree obtained from the star Sn−γ+1
by attaching a pendent edge to each of γ − 1 pendent vertices of Sn−γ+1 .

Theorem 5. [76, 108] For n ≥ 4, among n-vertex trees with domination number dn/3e,
only the path Pn has maximum H value.

Theorem 6. [76, 108] For n ≥ 5, among n-vertex trees with domination number 2, only
P4 (d(n − 4)/2e, b(n − 4)/2c) has maximum H value, where P4 (d(n − 4)/2e, b(n − 4)/2c)
is the tree obtained from the path P4 (= v1 v2 · · · v` ) by attaching d(n − 4)/2e (respectively,
b(n − 4)/2c) pendent vertices to v1 (respectively, v` ) of P4 .

Theorem 7. [76] If |V1 | = p, |V2 | = q and n ≥ 4, then among n-vertex trees with bipar-
0 0
tition (V1 , V2 ), only the tree Bp,q has minimum H value, where the tree Bp,q is obtained
from the path P2 by attaching p − 1 pendent vertices to one end vertex of P2 and q − 1
pendent vertices to the other end vertex of P2 .

The next result was proved independently in [76, 116, 166, 182].

Theorem 8. [76, 116, 166, 182] For n ≥ 5 and 3 ≤ k ≤ n − 2, among n-vertex trees with
k pendent vertices, only the tree Sn,k has minimum H value.
 -260-

Deng et al. [53] characterized the graphs having second minimum H value from the
family of n-vertex trees with fixed pendent vertices.
Shi [166] solved the problem of finding trees having maximum harmonic index from
the class of trees with fixed order as well as pendent vertices.

Theorem 9. [166] If 3 ≤ k ≤ b n+2

3
c, then among n-vertex trees with k pendent vertices,
only trees which have k − 2 vertices of maximum degree 3 such that every vertex of degree
3 is adjacent to either another vertex of degree 3 or a vertex of degree 2, have maximum
H value.

Theorem 9 can be considered as a particular case of Theorem 136. Since the extremal
trees specified in Theorem 9 are chemical trees, these trees also have the maximum H
value in the family of n-vertex chemical trees with k pendent vertices under the constrains
given in the aforementioned theorem and this fact was proven also in [41, 116]. Graphs
with minimum H value in the family of n-vertex chemical trees with fixed number of
pendent vertices were determined in [116]. Graphs with first three minimum (respectively,
maximum) H values from the family of n-vertex chemical trees were characterized in
[116, 205] (respectively, [205]) .
The following theorem was proven in [53, 76, 182] independently.

Theorem 10. [53, 76, 182] If n ≥ 3 and 2 ≤ d ≤ n − 1, then among n-vertex trees with
diameter d, the tree Td1 (n − d − 1) has minimum H value, where the tree Td1 (n − d − 1),
is obtained from the path P (= v0 v1 · · · vd ) by attaching n − d − 1 pendent vertices to the
vertex v1 .
Trees with second minimum H value and trees with third to (d(n − d + 1)/2e + 1) −th
minimum H values were also determined in [53, 76, 182] and [182], respectively, among
n-vertex trees with diameter d. Some extremal results concerning the harmonic index H
for multigraphs can be found in [182].

Theorem 11. [158] If n ≥ 5, then among n-vertex trees with maximum degree ∆,
• the starlike tree Sn (r1 , r2 , . . . , rk ), with r1 ≥ r2 ≥ · · · ≥ rk ≥ 2, has maximum H value
n−1
for 3 ≤ ∆ ≤ 2

• the starlike tree Sn (r1 , r2 , . . . , rk ), with 1 ≤ rk ≤ rk−1 ≤ · · · ≤ r1 ≤ 2, has maximum H

n−1
value for ∆ > 2
.
 -261-

Theorem 12. [189] Among trees with a given degree sequence, the greedy tree has maxi-
mum H value and the alternating greedy tree has minimum H value.

Theorem 13. [37] Among proper Kragujevac n-vertex trees with the central vertex of
degree r (where r ≥ 3) and no branches of type B1 , the tree V (respectively, U ) has
maximum (respectively, minimum) H value, where the trees U and V are depicted in
Figure 2.

| {z } | {z } | {z } | {z } | {z } | {z }
r−1 h | h1 {z h1 } | h2 {z h2 }
r1 r − r1
U V
n−5r+3
Figure 2: The trees U and V mentioned in Theorems 13 and 88, where h = 2
,
h1 = b n−r−1
2r
c, h2 = d n−r−1
2r
e and r1 = (3+2h1 )m−n+1
2
.

Theorem 14. [158] If T is an n-vertex tree with maximum degree ∆ and n ≡ r (mod
∆ − 1), then 
2(n−1)2


 (∆+2)n−4(∆−1)
if r = 0




 2(n−1)2

 (∆+2)n−3∆
 if r = 1
H(T ) ≥
 2(n−1)2

 if r = 2
 (∆+2)n−2(∆+1)




2(n−1)2

if r ≥ 3.


(∆+2)n−2∆−3+r(r−2)

Theorem 15. [157] If T is an n-vertex tree with maximum degree ∆ and n ≡ r (mod
 -262-

∆ − 1), where ∆ ≥ 3, then

  2

n(∆−2)



2
∆−1 ∆+1
+ ∆−2
2
+ n−(∆−1)
2∆
if r = 0 and n > (∆ − 1)(∆ − 2)




  2 −n

2 (∆−1)

+ n−∆+1 n−∆+1
+ 2(∆−1) if r = 0 and n ≤ (∆ − 1)(∆ − 2)



 (∆−1) 2 ∆+1 2




  
n(∆−2)+1
+ n−1−∆(∆−1)
 ∆−1
2 + 2∆−1 if r = 1 and n > (∆ − 1)2 + 1



 ∆2 −1 2∆(∆−1)



  
H(G) ≥ 2 ∆(∆−1)−n+1
∆(∆−1)
+ n−∆
∆+1
n−∆
+ (2∆−)(∆−1) if r = 1 and n ≤ (∆ − 1)2 + 1




  
n(∆−2)+2
 2
+ n−∆−1 if r = 2




 ∆−1 ∆+1 2∆



  
n(∆−2)+r−∆+1
+ n−(r−1)∆−1
 r−1
2 + ∆+r−1 if r ≥ 3 and n ≥ ∆(r − 1) + 1



 ∆2 −1 2∆(∆−1)



  
2 (r−1)∆−n+1 + n−r +
 n−r
if r ≥ 3 and n < ∆(r − 1) + 1.

r(∆−1) ∆+1 (∆+r−1)(∆−1)

3.2 Harmonic index of unicyclic and bicyclic graphs

The graphs with extremum H values from the collections of all n-vertex connected uni-
cyclic and bicyclic graphs were determined independently in [99, 203] and [99, 210, 220],
respectively.

Theorem 16. [99, 203] If n ≥ 4, then among n-vertex connected unicyclic graphs, only
the graph Hn,1 has minimum H value and only the cycle Cn has maximum H value.

It should be mentioned that Li and Shiu [109] proved Theorem 16 by an alternative

way.
For sufficiently large n, graphs with second to fourth (respectively, second to fifth)
maximum H values were characterized in [209] (respectively, [52]), from the family of
connected unicyclic n-vertex graphs.
Tomescu and Kanwal [183] determined the graphs with first three minimum H val-
ues from the family of n-vertex connected unicyclic graphs having girth at least 4, see
Theorem 141.

Theorem 17. [209] Let Un,k be the set of connected unicyclic n-vertex graphs with girth
k.
(i). If n ≥ k ≥ 3, then H(n, k; n − k, 0, . . . , 0) is the unique graph with minimum H value
 -263-

in the set Un,k .

(ii). If n ≥ k = 3, then H(n, 3; n − 4, 1, 0) is the only graph with second minimum H
value in the set Un,k .
(iii). If n ≥ k +2 ≥ 6, then members of A(n, k) are the only graphs with second minimum
H value in the set Un,k , where A(n, k) is the set of n-vertex unicyclic graphs consisting
of a cycle Ck , n − k − 1 pendent edges incident to a vertex x ∈ V (Ck ) and one pendent
edge incident to a vertex y ∈ V (Ck ), such that the distance between x and y is at least 2.
Theorem 17 also follows from Theorem 140(v) and Theorem 141.

Theorem 18. [209] Let Un,k be the set of connected unicyclic n-vertex graphs with girth
k.
(i). If n − 2 ≥ k ≥ 3, then the graph obtained from the cycle Ck by attaching a path of
length n − k to one vertex of Ck , is the unique graph with maximum H value in the set
Un,k .
(ii). If n − 4 ≥ k ≥ 3, then the members of B(n, k) are the only graphs with second
maximum H value in the set Un,k , where B(n, k) is the set of n-vertex unicyclic graphs
obtained either by attaching two paths of length at least 2 to two adjacent vertices of Ck or
by connecting an edge between a vertex of Ck and a vertex v of a path of length n − k − 1
such that v is not adjacent to any pendent vertex.
(iii). If k = n − 3, then Un,n−3 is the only graph with second maximum H value in the
set Un,k , where Un,n−3 is the graph obtained by attaching a path of length 2 and a path of
length 1 to two adjacent vertices u, v of Cn−3 , respectively.
(iv). If k = n − 2, then Un,n−2 is the only graph with second maximum H value in the set
Un,k , where Un,n−2 is the graph obtained from Cn−2 by attaching two pendent edges, one
at u ∈ V (Cn−2 ) and the other at v ∈ V (Cn−2 ) provided that uv ∈ E(Cn−2 ).
The next result can be considered as an extended version of Theorem 17(i).

Theorem 19. [204] If k ≥ 3, then H(n, k; n − k, 0, . . . , 0) is the unique graph with

minimum H value in the set of connected n-vertex graphs with girth at least k.

Theorem 20. [208] If 4 ≤ d ≤ n − 2, then among n-vertex connected unicyclic graphs

with diameter d, the unique graph obtained by attaching n − d − 1 pendent edges and a
path of length d − 3 to two non-adjacent vertices of C4 , respectively, has minimum H
value.
 -264-

Theorem 21. [156] If n ≥ 5 and G is the graph with maximum H value among connected
n+2 n+1
unicyclic n-vertex graphs having maximum degree ∆, where 2
≤ ∆ or ∆ ≤ 2
, then
G ∈ F1 ∪ F2 .

Theorem 22. [164] If G is a connected unicyclic molecular n-vertex graph with p pendent
vertices, then
n 3p
H(G) ≥ +
4 20
with equality if and only if G contains only vertices of degrees 1 and 4.

Theorem 23. [99,210,220] If n ≥ 4, then among n-vertex connected bicyclic graphs, only
the graph Hn,2 has minimum H value.

Theorem 24. [99,210,220] If n ≥ 6, then among n-vertex connected bicyclic graphs, only
the following graphs have maximum H value:
• the graph obtained from two disjoint cycles by joining them with an edge,
• the graph obtained from a cycle by adding an edge between any two non-adjacent vertices.

Deng et al. [52] characterized the graphs with first four maximum H values from the
class of all n-vertex connected bicyclic graphs (for sufficiently large n).

3.3 Harmonic index of general graphs

Theorem 25. [108] Among connected n-vertex graphs with fixed degree sequence, there
exists a BFS graph with maximum H value.

Theorem 26. [164] If n ≥ 3 and G is a connected n-vertex graph with maximum degree
∆, then
2n∆
H(G) ≥
(∆ + 1)2
with equality if and only if G is the star graph.
Chang et al. [31] extended Theorem 1 for the n-vertex connected graphs with minimum
degree at least 2.

Theorem 27. [31] If n ≥ 4, then among n-vertex connected graphs with minimum degree
∗
at least 2, only the graph K2,n−2 has minimum H value which is equal to
 
3 1
4 1− + .
n+1 n−1
 -265-

Theorem 27 was proved also by Wu et al. [193] independently. The next result was
proved independently in [31, 166].

Theorem 28. [31,166] If n ≥ 3, then among triangle-free connected n-vertex graphs with
minimum degree k ≥ 1, only the complete bipartite graph Kk,n−k has minimum H value
2k(n−k)
(which is equal to n
).
For k = 2 (respectively, for 1 ≤ k ≤ n2 ), Theorem 28 was proved also by Wu et al. [193]
(respectively, by Liu [114]) independently. Cheng and Wang [33] extended Theorem 27
to the n-vertex connected graphs with minimum degree at least 3.

Theorem 29. [33] If n ≥ 6, then among n-vertex connected graphs with minimum degree
∗
at least 3, only the graph K3,n−3 has minimum H value which is equal to
 
5 3
6 1− + .
n+2 n−1
Theorem 30. [122] Among n-vertex connected graphs having k (where 1 ≤ k ≤ n − 2)
∗
vertices of degree n−1 (which implies that the minimum degree in G is at least k), Kk,n−k
is the unique graph with minimum H value, which is equal to
2k(n − k) k(k − 1)
+ .
n + k − 1 2(n − 1)
∗
Since Kk,n−k is the unique extremal graph in Theorem 30 and also for k = 1, 2, 3, the
∗
only graph Kk,n−k has minimum harmonic index among n-vertex connected graphs with
minimum degree at least k, see Theorems 1, 27, 29, respectively. Thereby, Cheng and
Wang [33] proposed the following conjecture:

Conjecture 31. [33] If n ≥ 4 and 1 ≤ k ≤ bn/2c + 1, then among all n-vertex connected
∗
graphs with minimum degree at least k, only the graph Kk,n−k has minimum H value.

Generally, Conjecture 31 is not true, as some counterexamples were reported in [7]

for k = bn/2c + 1. However, Conjecture 31 is true when 1 ≤ k ≤ n/2 and this fact was
recently proved in [111]. The problem of characterizing graphs with minimum harmonic
index from the family of n-vertex connected graphs having minimum degree at least k,
for n/2 < k ≤ n − 2, was solved in [111, 113].

Theorem 32. [123] If n ≥ 4, then among n-vertex quasi-trees which contain at least one
cycle, only the graph Hn,1 has minimum H value which is equal to
2(n − 3) 4 1
+ + .
n n+1 2
 -266-

Theorem 33. [16] If n ≥ 5, then among connected n-vertex cacti with k cycles, the graph
containing a vertex of degree n − 1 is the unique graph with minimum H value.

Several extremal results concerning harmonic index can be found in the book chapter
[163]. Next, we state some results concerning specific k-polygonal chain graphs.

Theorem 34. [9] If h ≥ 4, then among triangular chains with h triangles and maximum
degree 5, only the linear triangular chain has maximum H value.

Theorem 35. [149] If h ≥ 3, then among polyomino chains with h squares, only the
linear polyomino chain has maximum H value.

Theorem 35 was proved also in [14].

Theorem 36. [14, 50] Among the members of Ωh , only the zigzag polyomino chain has
minimum H value, where Ωh is the collection of polyomino chains having h squares, in
which no internal segment of length 3 has edge connecting the vertices of degree 3.

Theorem 37. [39, 152] If h ≥ 3, then among polyomino chains with h squares, only the
zigzag polyomino chain has minimum H value.

Clearly, Theorem 36 immediately follows from Theorem 37. The next result is due to
Cruz and Rada [40].

Theorem 38. [40] If h ≥ 3, then among polyomino catacondensed systems with h squares,
only the linear polyomino chain has maximum H value.

Theorem 39. [15] If h ≥ 3, then among members of Ω0h , only the zigzag (respectively,
linear) pentagonal chain has minimum (respectively, maximum) H value, where Ω0h is
the collection of pentagonal chains, having h pentagons, in which no internal segment of
length 3 has edge connecting the vertices of degree 3.

Cruz et al. [36] characterized the hexagonal systems having extremum H value from
the collection of isomeric hexagonal systems.

Theorem 40. [36] Among isomeric hexagonal systems, those having minimum (respec-
tively, maximum) number of inlets have maximum (respectively, minimum) H value.

Theorem 41. [153] Among catacondensed hexagonal systems with h hexagons, the linear
hexagonal chain Lh (respectively, Eh ) has minimum (respectively, maximum) H value,
where Eh is described in Figure 6 of Ref. [153].
 -267-

Further extremal results concerning harmonic index of certain hexagonal systems can
be found in [21, 34, 35, 92, 92, 150, 151, 154].
Recall that the numbers of bays, coves, and fjords of a hexagonal system are denoted
by b, c, and f .

Theorem 42. [57] If there is a hexagonal system S0 with h ≥ 3 hexagons, 2h + 1 +

√ 
12h − 3 vertices such that S0 satisfies the equation b + 2c + 3f = 0, then among
hexagonal systems with h hexagons, S0 has the minimal H value, which is equal to
√ 
7 12h − 3 3
+h+ .
15 5

Further extremal results related to Theorem 42 can be found in [57, 85].

Brewster et al. [30] disproved two conjectures posed in [74] concerning the bounds of
H. The next result is due to Ilić [100].

Theorem 43. [100] If n = a + b ≥ 3 and G is a triangle–free connected (n, m)-graph,

then
2m 2ab
H(G) ≥ =
n n
with equality if and only if G ∼
= Ka,b .

Theorem 43 also follows from Theorem 161. Theorem 43 was proved also in [114]
independently. It is interesting to note that the extremal graphs in both Theorems 28
and 43 are the complete bipartite graphs.

Theorem 44. [48] For n ≥ 3, if G is a connected n-vertex graph and λ1 is the largest
eigenvalue of G, then
2(n − 1)3/2
H(G) ≥
λ1 n
with equality if and only if G ∼
= Sn ;

n
H(G) ≥ 1 + λ1 −
2

with equality if and only if G ∼

= Kn ;
r
3 (n − 1)2
H(G) ≥ 3 − λ1
2n
λ1 n
H(G) ≥ .
2
 -268-

Zhong [202] established a simple but elegant upper bound, given in the next theorem.

Theorem 45. [202] If G is an n-vertex graph then

n
H(G) ≤
2

with equality if and only if G is regular.

The bound given in Theorem 45 was derived also in [38, 99, 114] independently.

Theorem 46. [196] If G is a non-trivial connected (n, m)-graph, then

m
H(G) ≥
n − r(G)

where r(G) is the radius of G. If G ∼

= Kn then the bound is attained.

Theorem 47. [196] If G is a non-trivial connected (n, m)-graph with p pendent vertices,
then
p m−p
H(G) ≥ +
2 .
n−1 n − 1 − p2

Theorem 48. [112] If n ≥ 4 and G is a connected n-vertex graph with diameter D(G),
then
n 1
H(G) ≤ D(G) + −1 and H(G) ≤ n D(G)
2 2
where the equality sign in any of the above inequalities holds if and only if G ∼
= Kn .

Theorem 49. [112] If n ≥ 4 and T is an n-vertex tree with diameter D(T ), then
 
5 n 1 1
H(T ) ≥ D(T ) + − and H(T ) ≥ + D(T )
6 2 2 3(n − 1)

where the equality sign in any of the above inequalities holds if and only if G ∼
= Pn .

Liu [112] thought that Theorem 49 is true for any connected n-vertex graph, n ≥ 4,
and thereby proposed the following conjecture.

Conjecture 50. [112] If n ≥ 4 and G is a connected n-vertex graph with diameter D(G),
then  
5 n 1 1
H(G) ≥ D(G) + − and H(G) ≥ + D(G)
6 2 2 3(n − 1)
where the equality sign in any of the above inequalities holds if and only if G ∼
= Pn .
 -269-

Jerline and Michaelraj [104] proved the first inequality of Conjecture 50 for unicyclic
graphs by giving a better bound, given in the next theorem.

Theorem 51. [104] If n ≥ 7 and G is a connected n-vertex unicyclic graph with diameter
D(G), then
5 n
H(G) ≥ D(G) + −
3 2
with equality if and only if G is isomorphic to the graph obtained from the cycle C4 by
attaching one pendent edge and a path of length n − 5 to two diametrically nonadjacent
vertices of C4 .

Jerline and Michaelraj [105] proved the second inequality of Conjecture 50 for unicyclic
graphs by establishing the following better bound:

Theorem 52. [105] If n ≥ 7 and G is a connected n-vertex unicyclic graph with diameter
D(G), then  
1 2
H(G) ≥ + D(G)
2 3(n − 2)
with equality if and only if G is isomorphic to the graph obtained from the cycle C4 by
attaching one pendent edge and a path of length n − 5 to two diametrically nonadjacent
vertices of C4 .

Jerline and Michaelraj [105] proposed the following stronger version of Conjecture 50.

Conjecture 53. [105] If n ≥ 4 and G is a connected n-vertex graph, different from tree,
with diameter D(G), then
 
5 n 1 2
H(G) ≥ D(G) + − and H(G) ≥ + D(G)
3 2 2 3(n − 2)

where the equality sign in any of the above inequalities holds if and only if G is isomorphic
to the graph obtained from the cycle C4 by attaching one pendent edge and a path of length
n − 5 to two diametrically nonadjacent vertices of C4 .

Theorem 54. [49] If χ is the chromatic number of an n-vertex graph G then

χ
H(G) ≥
2

with equality if and only if G ∼

= Ka ∪ bK1 where Ka and K1 are disjoint complete graphs,
and b is a non-negative integer satisfying a + b = n.
 -270-

The next result is an immediate consequence of Theorem 54.

Corollary 55. [49] If χ is the chromatic number of an n-vertex graph G then

n
H(G) ≥ χ −
2
with equality if and only if G ∼
= Kn .

Deng et al. [56] established two lower bounds on H in order to prove a conjecture con-
cerning Randić index and radius of a graph. They also proposed a conjecture concerning
lower bound on H.

Theorem 56. [56] If T is a tree different from the even path, then
1
H(T ) > r(T ) +
15
where r(T ) is the radius of T .

Theorem 57. [56] If G is a connected graph with radius r(G) and cyclomatic number
ν ≥ 1, then
31
H(G) ≥ r(G) − (ν − 1) .
105
For ν = 1, the equality sign in the above inequality holds if and only if G is isomorphic
to an even cycle.

Deng et al. [56] posed the following conjecture.

Conjecture 58. [56] If G is a connected graph different from the even path, then

H(G) ≥ r(G)

where r(G) is the radius of G.

If G is a connected triangle-free n-vertex graph with minimum degree δ satisfying

δ ≥ n2 + 7, where n is sufficiently large, then Conjecture 58 is true [166].
p

Theorem 59. [109] If G is a connected (n, m)-graph with maximum degree ∆ and p
pendent vertices, then
2p m−p
H(G) ≥ +
∆+1 ∆
with equality if and only if G ∼
= Sn or G is a regular graph or G is a (∆, 1)-semiregular
graph.
 -271-

Theorem 60. [211] (i) If m ≥ 1 and G is a graph of size m such that G contains no
isolated vertex, then
2m
H(G) ≥
m+1
with equality if and only if either G ∼
= Sm+1 or G ∼
= K3 .
(ii) If G is a triangle- and quadrangle-free (n, m)-graph, where m ≥ 1, then

2m2
H(G) ≥
n(n − 1)

with equality if and only either G ∼

= Sn or G is a Moore graph of diameter 2 (regular
graph with diameter two and girth five [94, 212]).
(iii) If G is an (n, m)-graph with minimum degree δ and maximum degree ∆, where
m ≥ 1, then
2m2
H(G) ≥
2m(∆ + δ) − nδ∆
with equality if and only du = ∆, dv = δ for every edge uv ∈ E(G).

Theorem 61. [166] If G is either a tree or a connected triangle-free n-vertex graph with
minimum degree δ satisfying δ ≥ n3 +5, where n is sufficiently large, then H(G) ≥ µ(G),
p

where µ(G) is the average distance of G, Eq. (3). Equality holds if and only if G is the
star.

Theorem 62. [166] If G is a connected (n, m)–graph with minimum degree δ and maxi-
mum degree ∆, then
n m(δ − ∆)2 n
− ≤ H(G) ≤
2 2δ∆(δ + ∆) 2
with left (respectively, right) equality if and only if G is a biregular (respectively, regular)
graph.

Some bounds on the harmonic index, in terms of total chromatic number of a graph,
were obtained in [80].
Various bounds on the Harmonic index in terms of different graph parameters, in-
cluding several other topological indices, were derived in [115, 134, 162, 207, 219].

Theorem 63. [51] If n ≥ 5 and G is a connected n-vertex graph, then

3
H(G) ≥ 4 − − avec(G)
n
 -272-

with equality if and only if G ∼

= Sn . Also, if n ≥ 7 then
2(n − 1)(2n − 1)
H(G) ≥
n2 · avec(G)

with equality if and only if G ∼

= Sn . Furthermore, if n ≥ 3 and q1 is the largest signless
Laplacian eigenvalue of G then
3n
H(G) ≥ q1 − +2
2
with equality if and only if G ∼
= Kn . Finally, if m is the size of G and λ1 is the largest
eigenvalue of G then
2m2
H(G) ≥
λ21 n
with equality if and only if there exist some numbers r1 and r2 such that du + dv = r1 for
P
every edge uv ∈ E(G) and v∈NG (u) dv = r2 for every vertex v ∈ V (G), where NG (u) is
the set of vertices adjacent to u.

An upper bound on the harmonic index in terms of different graph parameters was
derived in [132].

Theorem 64. [164] If n ≥ 3 and G is a connected molecular (n, m)-graph, then

3m + 4n m + 2n
≤ H(G) ≤
20 6

with left equality if and only if G contains only vertices of degrees 1 and 4, and the right
equality holding if and only if either G ∼
= Pn or G ∼
= Cn .

Theorem 65. [164] If G is a connected non-trivial (n, m)-graph with maximum degree
∆ and p pendent vertices, then

2p m−p
H(G) ≥ + .
(∆ + 1) ∆

with equality if and only if G contains only vertices of degrees 1 and ∆.

Theorem 66. [204] If G is a connected non-trivial n-vertex graph with girth g(G) satis-
fying the inequality g(G) ≥ k ≥ 3, then

3k 6 4 3n
− + + 1 − g(G) ≤ H(G) ≤ − g(G) (4)
2 n−k+3 n−k+4 2
n2
 
k k 6 4
− + + 1 ≤ H(G) ≤ (5)
g(G) 2 n − k + 3 n − k + 4 2 g(G)
 -273-

3k n
− + g(G) ≤ H(G) ≤ + g(G) − k (6)
2 2
g(G) n g(G)
− ≤ H(G) ≤ . (7)
2 2k
The upper (respectively, lower) bounds in (4) and (5) (respectively, in (6) and (7)) are
attained if and only if G ∼
= Cn . The lower bounds in (4) and (5) are attained if and only
if G ∼
= H(n, k; n − k, 0, . . . , 0). The upper bounds in (6) and (7) are attained if and only
if G is a regular graph with g(G) = k.
The first two bounds of Theorem 66 generalize the main result of [194].

Theorem 67. [215] If G is a non-trivial n-vertex graph and µ1 is the largest eigenvalue
of the sum–connectivity matrix S(G), then
n
H(G) ≥ µ2
n−1 1
with equality if and only if G is isomorphic to either Kn or K n .

3.4 Relations between harmonic index and other

topological indices

The topological indices occurring in this Subsection are defined in Table 2.

Theorem 68. [202] If G is a non-trivial connected (n, m)-graph, then

H(G) ≤ R(G)

2m
where R(G) is the Randić index. Equality holds if and only if G is a n
-regular graph.
Theorem 68 was proved also in [196,197]. The lower bound, given in the next theorem,
is due to Ilić [100].

Theorem 69. [100] If G is a connected graph with m edges, then

2m2
H(G) ≥
M1 (G)
with equality if and only if du + dv is constant for every edge uv ∈ E(G).
The inequality given in Theorem 69 was also derived in [196, 197]; unfortunately, the
authors of [196, 197] made a mistake in the equality case.
Xu [196] derived several bounds on the harmonic index H in terms of some other
familiar BID indices.
 -274-

Theorem 70. [196] If G is a non-trivial connected graph, then

ABC(G)
H(G) ≤ + R(G)
2
where ABC is the atom–bond connectivity index, see Table 2. Equality holds if and only
if G ∼
= P2 .

Lemma 71. [19, 45] If G is an (n, m)-graph then

M 1 (G) = 2m(n − 1) − M1 (G) .

From Theorem 69 and Lemma 71, the next result follows.

Theorem 72. If G is a connected graph with m edges, then

2m2
H(G) ≥
2m(n − 1) − M 1 (G)
with equality if and only if du + dv is constant for every edge uv ∈ E(G).
The inequality given in Theorem 72, without the equality sign, was also derived
in [196, 197]. Liu [112] established some bounds on H in terms of order and diameter of
a graph.

Theorem 73. [211] (i) If G is an n-vertex graph, then

√
2 n−1
R(G) ≤ H(G) ≤ R(G)
n
with left equality if and only if G ∼
= Sn , and the right equality holding if and only if all
components of G are regular. Also, it holds that
n
− H(G) ≤ H(G) ≤ n − H(G)
2
with left equality if and only if either G ∼
= Kn or G ∼
= K n , and the right equality holding
if and only if G is a k-regular graph with 1 ≤ k ≤ n − 2.
(ii) If G is a connected n-vertex graph, where n ≥ 3, then
r
2 2
X(G) ≤ H(G) ≤ √ X(G) (8)
n−1 3
with left equality if and only if G ∼
= Kn , and the right equality holding if and only if
G∼= P3 . If the minimum degree of G is at least k ≥ 2, then the following bound is better
than the upper bound given in (8):
2
H(G) ≤ √ X(G)
k
 -275-

with equality if and only if G is k-regular.

(iii) If G is a connected n-vertex graph, where n ≥ 7, then
r
2 n−1 4
ABC(G) ≤ H(G) < √ ABC(G)
n n−2 3 2
with left equality if and only if G ∼
= Sn (see also [90]). If the minimum degree of G is at
least k ≥ 2, then
ABC(G)
H(G) ≤ √
2k − 2
with equality if and only if G is k-regular.

Theorem 74. [90] (i) If G is a connected molecular n-vertex graph, where n ≥ 3, and if
r
x+y−2 x+y
f (x, y) = ·
xy 2

then
ABC(G) ABC(G)
≤ H(G) ≤ .
f (4, 4) f (1, 2)
The left equality is not possible, but could be satisfied if G is the graph representation of
a diamond–like nanostructure [59, 60]. The right equality holds if and only if G ∼
= P3 .
(ii) If G is the molecular graph of a benzenoid system, then
ABC(G) ABC(G)
≤ H(G) ≤ .
f (3, 3) f (2, 2)

The left equality is attained if G is the graph representation of nanotubes and nanotoruses,
as well as fullerenes [59, 60]. The right equality holds if and only if G ∼
= C6 .

Theorem 75. [160] If G is a graph with minimum degree δ and maximum degree ∆, then

GA(G) GA(G)
≤ H(G) ≤
∆ δ
where GA(G) is the geometric–arithmetic index, see Table 2. Equality (both left and
right) is attained if and only if G is a regular graph.

Several bounds on the harmonic index in terms of other topological indices can be
found in the references [11, 164].
Iranmanesh and Saheli [102] obtained bounds on the harmonic index of caterpillars
with diameter 4.
Bounds on the harmonic index of graphs under various graph operations were obtained
in [1, 2, 140–142, 165].
 -276-

Theorem 76. [161] If G is a non-trivial graph with minimum degree δ and maximum
degree ∆, then
δ GA(G)2 GA(G)2 (δ 2 + ∆2 )2
≤ H(G) ≤
M2 (G) 4δ 2 ∆ · M2 (G)
where M2 is the second Zagreb index, see Table 2. Equality (left or right) is attained if
and only if G is a regular graph.

Theorem 77. [129] If G is a non-trivial graph with minimum degree δ and maximum
degree ∆, then
s
8(∆δ)3/2 GA(G) · M2∗ (G) p
3
≤ H(G) ≤ GA(G) · M2∗ (G)
(∆ + δ)

with (left or right) equality if and only if G is a regular graph.

Theorem 78. [42] If G is a connected graph with maximum degree ∆ and

X 1
ID(G) =
du
u∈V (G)

then
1
H(G) ≤ ID(G) ∆
2
√
with equality if and only if G is regular. Also, if du ≥ dv ≥ du + 1 for every edge
uv ∈ E(G), then H(G) > ID(G). Furthermore, if G is a tree, then H(G) < ID(G).

Theorem 79. [144] If G is a connected (n, m)-graph with minimum degree δ and maxi-
mum degree ∆, then
 m 
!
(δ − ∆)(∆2 − δ 2 ) m2 1 − 1
 
2m m 2 m(δ + ∆)ISI(G)
ISI(G) − ≤ H(G) ≤ √
M2 (G) 2∆δ δ∆ M2 (G)

with (left or right) equality if and only if G is regular.

Theorem 80. [137] If G is a connected graph of order at least 3, then

H(G) ≤ ISI(G)
with equality if and only if G ∼
= P3 . If G has minimum degree δ and maximum degree ∆,
then
2 ISI(G) 2 ISI(G)
≤ H(G) ≤
∆2 δ2
with (left or right) equality if and only if G is regular.
 -277-

Theorem 81. [93] If G is a graph of size m, minimum degree δ and maximum degree
∆, then
m2 δ M2 (G)
≤ H(G) ≤
M2 (G) δ3
with (left or right) equality if and only if G is regular;
√

2 δ∆ M2∗ (G)
∗
· M2 (G) ≤ H(G) ≤
δ+∆
n/2


with left equality if and only if G is regular or biregular, and the right equality holding if
and only if G is regular;
M1 (G) M1 (G)
≤ H(G) ≤
2∆2 2δ 2
with (left or right) equality if and only if G is regular. Also, the following inequality holds
F (G) F (G)
m(δ + 2) − ≤ H(G) ≤ .
∆ 2δ 3
Theorem 82. [215] Let G be a non-trivial n-vertex graph. If µn and µ1 are the smallest
and greatest eigenvalues of the sum–connectivity matrix S(G), then
(µ1 − µn )2
H(G) ≥
2
with equality if and only if either G is isomorphic to a complete bipartite graph with
possibly isolated vertices or G ∼
= K n;
SE(G)2 SE(G)2
≤ H(G) ≤
n 2
with left equality if and only if either G is isomorphic to a regular graph of degree one or
G∼
= K n , and the right equality holding if and only if either G is isomorphic to a complete
bipartite graph with possibly isolated vertices or G ∼
= Kn

Theorem 83. [199] If G is a non-trivial n-vertex graph, then

SE(G)2 − n(det(S))2/n
≤ H(G) ≤ SE(G)2 − n(n − 1) · (det(S))2/n
n−1
where det(S) is the determinant of the sum–connectivity matrix S(G).
The lower bound given in Theorem 83 is better than the second lower bound mentioned
in Theorem 82. Matejić et al. [130] obtained several bounds on the harmonic index.
Some inequalities involving the harmonic index and sum–connectivity Estrada index
were also derived in [198]. Several bounds concerning harmonic index can be found in
the book chapter [163].
 -278-

4 The Sum–Connectivity Index

Many results for the sum–connectivity index follow as special cases from results for general
sum–connectivity index χα . In order to avoid repetition, in this section we outline only
results pertaining to χα for α = −1/2.

4.1 Sum–connectivity index of trees

Theorem 84. [213] Among n-vertex trees, the trees Sn , M S(n − 3, 1) and M S(n − 4, 2)
have first, second and third, respectively, minimum sum–connectivity index.

Theorem 85. [213] If n ≥ 4, then the path Pn is the unique graph with maximum sum–
connectivity index among n-vertex trees. If n ≥ 7, then only the starlike trees of the form
Sn (r1 , r2 , r3 ), where r1 ≥ r2 ≥ r3 ≥ 2 (respectively, Sn (r1 , r2 , 1), where r1 ≥ r2 ≥ 2), have
second (respectively, third) maximum sum–connectivity index.
Betancur et al [22] proved that only the starlike trees of the form Sn (r1 , r2 , r3 ), where
r1 ≥ r2 ≥ r3 ≥ 2, have maximum sum–connectivity index among n-vertex starlike trees
for n ≥ 7. This fact also follows from Theorem 85.
Mao and Zhou [128] determined the trees with fourth to seventh maximum sum–
connectivity indices and fourth to eighth minimum sum–connectivity indices from the
family of n-vertex trees, for sufficiently large n.

Theorem 86. [213] If n ≥ 5 and 3 ≤ k ≤ n − 2, then among n-vertex trees with k

pendent vertices, only the tree Sn,k has minimum sum–connectivity index.
The graphs with first three minimum sum–connectivity indices from the family of
n-vertex molecular trees were also characterized [213].

Theorem 87. [68] Among n-vertex trees with maximum degree ∆, only the starlike trees
of the form Sn ( 2, 2, . . . , 2 , 1, 1, . . . , 1 ), (respectively, Sn (r1 , r2 , . . . , r∆ ), r1 ≥ r2 ≥ · · · ≥
| {z } | {z }
n−∆−1 2∆−n+1
r∆ ≥ 2) have maximum sum–connectivity index for n/2 ≤ ∆ ≤ n − 2 (respectively, for
n−1
3≤∆≤ 2
).

Theorem 88. [37] Among proper Kragujevac n-vertex trees with the central vertex of
degree r ≥ 3 and no branches of type B1 , the tree V (respectively, U ) has maximum
(respectively, minimum) sum–connectivity index, where the trees U and V are depicted
in Figure 2.
 -279-

Theorem 89. [195] If k ≥ 5 and T is an n-vertex molecular tree with k pendent vertices,
then  
n 1 1 3 4
X(G) ≥ + √ + √ −1 k+ − √
2 6 5 2 6
with equality if and only if x1,4 = k, x2,4 = k − 4, x2,2 = n − 2k + 3 for even k and
6 ≤ k ≤ b n+3
2
c.

Theorem 90. [195] If k is odd, 9 ≤ k ≤ b n+2

2
c and T is an n-vertex molecular tree with
k pendent vertices, then
√
 
n 1 1 3
X(G) ≥ + √ + √ −1 k+ √ − 6+1
2 6 5 5
with equality if and only if x1,4 = k, x2,4 = k − 6, x2,2 = n − 2k + 2, x2,3 = 3.

Theorem 91. [195] If k ≥ 3 and T is an n-vertex molecular tree with k pendent vertices,
then  
n 1 1 1 3 3
X(G) ≤ + √ +√ +√ − k+1− √
2 6 3 5 2 6
with equality if and only if x1,2 = x2,3 = k, x2,2 = n−3k+2, x3,3 = k−3 for 3 ≤ k ≤ b n+2
3
c.

Theorem 92. [117] If T is an n-vertex tree with k pendent vertices and µ(T ) is the
average distance of T , then
 n √ o
µ(T ) + min 0, k − 2 if k = 2


X(G) ≥ n o

µ(T ) + max 0, √k−1 − 2

if k ≥ 3.
k+1

Equality is attained if T ∼
= Sn and n → ∞.

4.2 Sum–connectivity index of unicyclic and bicyclic graphs

Theorem 93. [65] If n ≥ 5, then among connected unicyclic n-vertex graphs, the graphs
H(n, 3; n − 3, 0, 0) and H(n, 3; n − 4, 1, 0) are the only species with minimum and second
minimum X values (see also [32]).

Theorem 94. [32, 68] If n ≥ 4, then among connected unicyclic n-vertex graphs, the
cycle Cn is the unique graph with maximum sum–connectivity index.
Theorem 95. [68] If n ≥ 5, then among connected unicyclic n-vertex graphs, the graphs
obtained by attaching a path of length at least 2 to a cycle are the only graphs with the
second maximum sum–connectivity index.
 -280-

Theorem 96. [32] If n ≥ 5 and 1 ≤ k ≤ n − 3, then among connected unicyclic n-vertex

graphs with k pendent vertices, the graph obtained from the cycle Cn−k by attaching k
pendent vertices to a single vertex, is the unique graph with minimum sum–connectivity
index.

Theorem 97. [68] Among connected unicyclic n-vertex graphs with maximum degree
∆, only the the unicyclic graph obtained by attaching 2∆ − n − 1 pendent vertices and
n − ∆ − 1 paths of length 2 to a vertex of a triangle, (respectively, the unicyclic graph
obtained by attaching ∆−2 paths of length at least 2 to a vertex of a cycle) have maximum
n+2 n+1
sum–connectivity index for 2
≤ ∆ ≤ n − 2 (respectively, for 3 ≤ ∆ ≤ 2
).

Theorem 98. [64] If n ≥ 8, then among connected bicyclic n-vertex graphs, Hn,2 (re-
spectively, the bicyclic graph, different from Hn,2 , having a vertex of degree n − 1) is the
unique graph with minimum (respectively, second minimum) sum–connectivity index.

Graphs with first two maximum sum–connectivity indices in the family of connected
bicyclic n-vertex graphs were also characterized in [64].

4.3 Sum–connectivity index of general graphs

Theorem 99. [173] Among n-vertex quasi-trees, the graph obtained from the cycle Cn
by adding chords from one vertex u to c consecutive other vertices, has maximum sum–
connectivity index, where c = n − 3 if n ≤ 32 and c = 30 otherwise.
Extremal results concerning minimum sum–connectivity index and matching number
were obtained in [66] for trees and connected unicyclic graphs, in [64] for connected
bicyclic graphs, and in [126] for cacti. Results on trees with given matching number and
maximum sum–connectivity index are found in [222]

Theorem 100. [213] The complete graph Kn is the unique graph with maximum sum–
connectivity index among n-vertex graphs. If n ≥ 5, then the star Sn is the unique graph
with minimum sum–connectivity index among n-vertex graphs without isolated vertices.
Theorem 100 was proven in [38] by an alternative way.

Theorem 101. [126] If n ≥ 5, then among connected n-vertex cacti with k cycles,
the graph containing a vertex of degree n − 1 is the unique graph with minimum sum–
connectivity index.
 -281-

Theorem 102. [192] If n ≥ 11, then among n-vertex connected graphs with minimum
∗
degree at least 2, only the graph K2,n−2 has minimum sum–connectivity index.

Theorem 103. [192] If n ≥ 11, then among connected triangle–free n-vertex graphs with
minimum degree at least 2, the complete bipartite graph K2,n−2 is the unique graph with
minimum sum–connectivity index.

Theorem 104. [9] If h ≥ 4, then among triangular chains with h triangles and maximum
degree 5, only the linear triangular chain has maximum sum–connectivity index.

Theorem 105. [149] If h ≥ 3, then among polyomino chains with h squares, only the
linear polyomino chain has maximum sum–connectivity index.
Theorem 105 was proven also in [14].

Theorem 106. [14] Among the members of Ωh , only the zigzag polyomino chain has
minimum sum–connectivity index, where Ωh is the collection of polyomino chains, having
h squares, in which no internal segment of length 3 has an edge connecting vertices of
degree 3.

Theorem 107. [39,152] If h ≥ 3, then among polyomino chains with h squares, only the
zigzag polyomino chain has minimum sum–connectivity index.

Clearly, Theorem 106 immediately follows from Theorem 107. The next result con-
cerning sum–connectivity index of polyomino catacondensed systems is due to Cruz and
Rada [40].

Theorem 108. [40] If h ≥ 3, then among polyomino catacondensed systems with h

squares, only the linear polyomino chain has maximum sum–connectivity index.

Theorem 109. [15] If h ≥ 3, then among the members of Ω0h , only the zigzag (respec-
tively, linear) pentagonal chain has minimum (respectively, maximum) sum–connectivity
index, where Ω0h is the collection of pentagonal chains, having h pentagons, in which no
internal segment of length 3 has an edge connecting vertices of degree 3.

Theorem 110. [36] Among the isomeric hexagonal systems, those having minimum (re-
spectively, maximum) number of inlets have maximum (respectively, minimum) sum–
connectivity index.
 -282-

Theorem 111. [153] Among catacondensed hexagonal systems with h hexagons, the lin-
ear hexagonal chain Lh (respectively, Eh ) has minimum (respectively, maximum) sum–
connectivity index, where Eh is described in Figure 6 of Ref. [153].
Additional extremal results on the sum–connectivity index of hexagonal systems can
be found in [21, 34, 35, 92, 92, 150, 151, 154].

Theorem 112. [57] If there is a hexagonal system S0 with h ≥ 3 hexagons, 2h + 1 +

√ 
12h − 3 vertices such that S0 satisfies the equation b + 2c + 3f = 0, then among
hexagonal systems with h hexagons S0 has the minimal sum–connectivity index.

Further extremal results related to Theorem 112 can be found in [57, 85].
The following theorem gives lower bounds on the sum–connectivity index X.

Theorem 113. [213] (i) If G is a graph without pendent vertices, then X(G) ≥ R(G)
with equality if and only if all the non-isolated vertices of G have degree 2.
(ii) If G is a graph with m ≥ 1 edges, then
√
m m
X(G) ≥ p
M1 (G)

with equality if and only if there exists a number r0 such that du + dv = r0 for every edge
uv ∈ E(G);
m
X(G) ≥ √
m+1
with equality if and only if G has no two independent edges.
(iii) If m ≥ 1 and G is an (n, m)-graph, then
√
m n−1
X(G) ≥ p
2m + (n − 1)(n − 2)

with equality if and only if G is isomorphic to one of the graphs Kn , Sn , Kn ∪ K1 ;

√
m m
X(G) ≥ p
n(n − 1)

with equality if and only if G ∼

= Sn or G is isomorphic to a Moore graph of diameter 2
(regular graph with diameter two and girth five). Moreover, if the graph G has minimum
degree δ and maximum degree ∆ then
√
m m
X(G) ≥ p
2m(δ + ∆) − nδ∆
 -283-

with equality if and only if du + dv = δ + ∆ for every edge uv ∈ E(G).

(iv) If m ≥ 1 and G is a triangle-free (n, m)-graph, then
m
X(G) ≥ √
n

with equality if and only if G is a complete bipartite graph.

(v) If G is an n-vertex graph, then
√
n n−1
X(G) ≥ √ − X(G)
2 2

with equality if and only if G is isomorphic to either Kn or K n .

The following theorem gives upper bounds on the sum–connectivity index X.

√
Theorem 114. [213] (i) If G is a graph with m edges, then X(G) ≤ m/ 2 with equality
if and only if G consists of m copies of K2 and arbitrary number of isolated vertices.
(ii) If m ≥ 1 and G is an (n, m)-graph, then
r
mn
X(G) < .
2

(iii) If G is an n-vertex graph with maximum degree ∆, then

√
n ∆
X(G) ≤ √
2 2
with equality if and only if G is regular of degree ∆.

The bound given in the first part of the next theorem is an improved version of the
one, given in Theorem 114(ii).

Theorem 115. [96] (i) If m ≥ 1 and G is an (n, m)-graph, then

√
mn
X(G) ≤
2

with equality holding if and only if G is regular.

(ii) If G is a triangle– and quadrangle-free connected n-vertex graph with radius r(G),
then sp
n n − r(G) + 1
X(G) ≤
2 2
with equality if and only if either G is isomorphic to a Moore graph of diameter 2 or
G∼
= C6 .
 -284-

Theorem 116. [213] If 4 ≤ n−1 ≤ m ≤ 2n and G is a connected molecular (n, m)-graph,

then
       
4 1 1 1 5 2 2 3 2
√ − √ n+ √ −√ m ≤ X(G) ≤ √ −1 n+ −√ m
3 5 2 2 3 2 2 5 3 2 3
with left equality if and only if G contains only vertices of degrees 1 and 4, and the right
equality holding if and only if G is either a path or a cycle.

Theorem 117. [211] If G is a connected n-vertex graph with minimum degree at least k,
where k ≥ 2, and χ is the chromatic number of G, then
r
k
X(G) ≥ χ
8
∼
with equality if and only if G = Kn .
Several bounds on the sum–connectivity index in terms of other topological indices
can be found in [11].

Theorem 118. [43] If G is a connected n-vertex graph with p pendent vertices, such that
every non-pendent vertex has degree at least δ 0 , then
p
X(G) ≥ R(G) − p √ √
δ 0 (δ 0 + 1)( δ 0 + 1 + δ 0 )
with equality if and only if G is isomorphic to any of the graphs Sn , Pn , Cn .

Theorem 119. [107] The sum–connectivity index of almost every n-vertex tree is among
(r ± )n, where r is some constant and  is an arbitrary positive number.

Theorem 120. [143] If G is an (n, m)-graph with maximum degree ∆ and minimum
degree δ, then
   
n 2 1 n 2 1
√ +m √ + √ ≤ X(µ∗ (G)) ≤ √ +m √ + √ .
n+∆+1 1 + 3∆ 2 ∆ n+δ+1 1 + 3δ 2 δ
where µ∗ (G) is the Mycielskian of G.
Pn
Recall that by Si = j=1 si,j we denote the sum of the i-th row of the sum–

connectivity matrix S(G).

Theorem 121. [198] If G is a connected non-trivial n-vertex graph and µ1 is the largest
eigenvalue of the sum–connectivity matrix S(G), then
n µ1
X(G) ≤
2
with equality if and only if S1 = S2 = · · · = Sn .
 -285-

An inequality involving the sum–connectivity index and sum–connectivity Estrada

index was also derived in [198].

4.4 Relations between sum–connectivity index and

other topological indices

Theorem 122. [216] If G is a graph, then

R(G)
X(G) ≥ √
2
with equality if and only if all non-isolated vertices have degree 1. Also, if G has no
component on two vertices, then
r
2
X(G) ≥ R(G)
3
with equality if and only if all non-trivial components of G are paths on 3 vertices.

Theorem 123. [216] If G is a graph with m edges, then

r
m R(G)
X(G) ≤
2
with equality if and only if G is regular. If G has n vertices, then
√
n n−1
X(G) ≤ − X(G)
2
with equality if and only if G is regular of degree (n − 1)/2. Moreover, if G does not
contain any isolated vertex but has the clique number ω, then
r
1 m(ω − 1) 0
X(G) ≤ · R(G)
2 ω
with equality if and only if G is a regular complete ω-partite graph.
A lower bound on the sum–connectivity index of strong product of graphs was derived
in [2].

Theorem 124. [211] If G is a connected n-vertex graph, where n ≥ 5, then

r
n−1
X(G) ≤ R(G)
2
with equality if and only if G ∼
= Kn ;
s r
n−1 2
ABC(G) ≤ X(G) < ABC(G)
n(n − 2) 3
with left equality if and only if G ∼
= Sn .
 -286-

Some bounds on the sum–connectivity index in terms of harmonic index can be ob-
tained from Theorem 73(ii).

Theorem 125. [160] If G is a graph with minimum degree δ and maximum degree ∆,
then r
GA(G) m GA(G)
√ ≤ X(G) ≤
2∆ 2δ
with (left or right) equality if and only if G is a regular graph;
r
R(G) · GA(G)
X(G) ≤
2

with equality if and only if G is either a regular or a biregular graph.

Theorem 126. [44] If G is a connected (n, m)-graph with maximum degree ∆, then

∆ · 0R(G)
X(G) ≤ √
2 2
√ p
∆ + (n − 1)(2m − ∆)
X(G) ≤ √ .
2 2
The equality sign in either of the above inequalities holds if and only if G is a regular
graph.

Theorem 127. [44] If T is an n-vertex tree, then

X(T ) < 0R(T ) .

If G is an n-vertex graph such that dv ≥ 2n1/3 for all v ∈ V (G), then

X(G) > 0R(G) .

Theorem 128. [137] If G is a connected graph, then

p
X(G) ≤ ISI(G) · M2∗ (G)

with equality if and only if G is regular or biregular. If G has minimum degree δ, maximum
degree ∆ and size m, then
r p
2 ISI(G) · m
ISI(G) · ≤ X(G) ≤
∆3 δ

with (left or right) equality if and only if G is regular.

 -287-

5 General Sum–Connectivity Index

Throughout this section, whenever the condition on α is not mentioned, it is assumed

that α is any real number different from zero.

5.1 General sum–connectivity index of trees

Theorem 129. [214] If n ≥ 4, then among n-vertex trees

• the star Sn is the only graph with minimum (respectively, maximum) χα value for α < 0
(respectively, for α > 0);
• the path Pn is the only graph with minimum (respectively, maximum) χα value for α > 0
log 2
(respectively, for −1.4094 ≈ 1 − log(4/3)
≤ α < 0).

Theorem 130. [67] If n ≥ 4, then among n-vertex trees, the path Pn is the only graph
log 2
with maximum χα value for x0 < α < 1 − log(4/3)
≈ −1.4094, where x0 ≈ −1.7036 is the
α α α α
unique root of the equation 3 − 4 = 2(4 − 5 ).

Theorem 131. [67] If x1 ≈ −4.3586 is the unique root of the equation 4α − 5α =

(n−1)/2
z }| {
α α
3(5 − 6 ), α < x1 , and n ≥ 4, then among n-vertex trees, the starlike tree Sn ( 2, . . . , 2 )
(n−4)/2
z }| {
(respectively, Sn ( 3, 2, . . . , 2 )) is the only graph with maximum χα value for even n (re-
spectively, for odd n).

Theorem 132. [182] If −1 ≤ α < 0, n ≥ 3, and 2 ≤ d ≤ n − 1, then among n-vertex

trees with diameter d, the tree Sn,n−d+1 has minimum χα value.

Theorem 133. [182] If −1 ≤ α < 0 and 3 ≤ d ≤ n − 2, then among n-vertex trees

with diameter d, the trees having minimum χα values are (in this order): M S(n −
d, 0, . . . , 0, 1), M S(n − d − 1, 0, . . . , 0, 2), . . . , M S n−d+1 , 0, . . . , 0, n−d+1
   

2 2
.

The next result is a generalized version of Theorem 84.

Theorem 134. [182] If −1 ≤ α < 0, then among n-vertex trees, the trees Sn , M S(n −
3, 1), M S(n − 4, 2), Sn,n−3 and M S(n − 5, 3) have first, second, third, fourth and fifth,
respectively, minimum χα values.

The next result is a generalized version of Theorems 86 and 8.

 -288-

Theorem 135. [182] If −1 ≤ α < 0, n ≥ 5 and 3 ≤ k ≤ n − 2, then among n-vertex

trees with k pendent vertices, only the tree Sn,k has minimum χα value.

Extremal results concerning general sum–connectivity index for multigraphs can be

found in [182].

Theorem 136. [41] If −1 ≤ α < 0 and 3 ≤ k ≤ b n+2

3
c, then among n-vertex trees with
k pendent vertices, only the trees having k − 2 vertices of maximum degree 3 such that
every vertex of degree 3 is adjacent to either another vertex of degree 3 or a vertex of
degree 2, have maximum χα value.

Since the extremal trees specified in Theorem 136 are chemical trees, these trees also
have the maximum χα value in the family of n-vertex chemical trees with k pendent
vertices under the constrains given in the aforementioned theorem [41].

Theorem 137. [189] Among trees with given degree sequence, the greedy tree has maxi-
mum (respectively, minimum) χα value for α < 0 or α > 1 (respectively, for 0 < α < 1)
and alternating greedy tree has minimum (respectively, maximum) H value for α < 0 or
α > 1 (respectively, for 0 < α < 1).

Partial part of Theorem 137 also appeared in [20, 201].

Theorem 138. [181] If n ≥ 3, α ≥ 1, and n/2 ≤ s ≤ n − 1, then among n-vertex trees

with independence number s, the starlike tree Sn ( 2, 2, . . . , 2, 1, 1, . . . , 1 ) is the unique tree
| {z } | {z }
n−s−1 2s−n+1
with maximum χα value.

The next result is a generalized version of Theorem 89.

Theorem 139. [41] If −1 ≤ α < 0, k ≥ 5, and T is an n-vertex molecular tree with k

pendent vertices, then

χα (G) ≥ 4α (n − 2k + 3) + 5α · k + 6α (k − 4)

with equality if and only if x1,4 = k, x2,4 = k − 4, x2,2 = n − 2k + 3 for even k and
6 ≤ k ≤ b n+3
2
c.
 -289-

5.2 General sum–connectivity index of unicyclic, bicyclic,

tricyclic and tetracyclic graphs
Tache and Tomescu [172] characterized the graphs having maximum χα value for n-
vertex trees and unicyclic graphs with fixed number of pendent vertices. Jamil and
Tomescu [103] obtained the graphs with minimum χα values in the families of n-vertex
trees (for −1 ≤ α < 0) and unicyclic graphs (for −0.585 ≤ α < 0) with fixed matching
number, under some constraints.
Theorem 140. [66] If n ≥ 5, then among connected unicyclic n-vertex graphs
(i) for α > 0, the cycle Cn is the unique graph with minimum χα value;
(ii) for 0 < α < 1, the graphs obtained by attaching a path on at least two vertices to a
vertex of a cycle, are the only graphs with second minimum χα value;
(iii) for α > 1, the graph obtained by attaching a pendent vertex to a vertex of the cycle
Cn−1 , is the unique graph with second minimum χα value;
(iv) for α = 1, the extremal graphs mentioned in (ii) and (iii) are the only graphs with
second minimum χα value.
(v) for −1 ≤ α < 0, H(n, 3; n − 3, 0, 0) and H(n, 3; n − 4, 1, 0) are, respectively, the only
graphs with minimum and second minimum χα values.
Theorem 140(v) can be considered as an extended version of Theorem 93. Clearly,
the extremal graphs mentioned in Theorem 140(v) have girth equal to 3. Tomescu and
Kanwal [183] extended this result to unicyclic graphs of girth at least 4.
Theorem 141. [183] Let −1 ≤ α < 0 and Un,k be the set of connected unicyclic n-vertex
graphs of girth k.
(i). If n ≥ k ≥ 4, then H(n, k; n − k, 0, . . . , 0) is the unique graph with minimum χα
value in the set Un,k .
(ii). If n ≥ k + 2 ≥ 6, then the members of A(n, k) are the only graphs with second
minimum χα value in the set Un,k , where A(n, k) is the set of n-vertex unicyclic graphs
consisting of a cycle Ck , n − k − 1 pendent edges incident to a vertex x ∈ V (Ck ) and one
pendent edge incident to a vertex y ∈ V (Ck ), such that the distance between x and y is
at least 2.
(iii). If n ≥ k +4 ≥ 8, then there exists a natural number n0 (α) such that if n−k ≥ n0 (α)
then H(n, k; n − k − 1, 1, 0, . . . , 0) is the unique graph with third minimum χα value in
the set Un,k .
 -290-

The next result is a generalized version of Theorem 96.

Theorem 142. [179] If −1 ≤ α < 0, n ≥ 5, and 1 ≤ k ≤ n − 3, then among connected

unicyclic n-vertex graphs with k pendent vertices, the graph obtained from Cn−k by at-
taching k pendent vertices to a single vertex of Cn−k , is the unique graph with minimum
χα value.

Theorem 143. [18] If n ≥ 6 and −1 ≤ α < 0, then among n-vertex connected bicyclic
graphs, only the following graphs have maximum χα value:
• the graph obtained from two disjoint cycles by joining them with an edge,
• the graph obtained from a cycle by adding an edge between any two non-adjacent vertices.

Conjecture 144. [6] If −1 ≤ α < 0 and ν ≥ 1, then among connected n-vertex graphs
with cyclomatic number ν, Hn,ν is the unique graph with minimum χα value.

Theorem 145. [169] If n ≥ 5 and α > 1, then among connected bicyclic n-vertex graphs,
only the graphs consisting only of vertices of degrees 2 and 3, such that no two vertices
of degree 3 are adjacent, have minimum χα value.

In Theorem 145, if we replace the condition “α > 1” with “α = 1” then the resulting
statement remains true [47, 82].

Theorem 146. [168] If n ≥ 5 and α ≥ 1, then among connected bicyclic n-vertex graphs,
Hn,2 is the unique graph with maximum χα value.
Ali and Dimitrov [12] gave a short proof of Theorem 146. For α = 2, Theorems 129,
140(i), 145 and 146 were also proven in [79].
Tache [171] characterized the graphs having maximum χα value, for α > 1, from the
classes of connected bicyclic n-vertex graphs with (i) fixed number of pendent vertices,
and (ii) girth.

Theorem 147. [221] If n ≥ 5 and α ≥ 1, then among connected tricyclic n-vertex graphs,
only Hn,3 and/or K have/has maximum χα value and K is the graph obtained from K4
by attaching n − 4 pendent vertices to one of the vertices of K4 .
Theorem 147 was proven in a short way in [8]. Clearly, Theorem 147 does not give
precise extremal graphs. This gap was not addressed in [8] either, but was filled in [12].
The unique tetracyclic and unicyclic graphs with maximum χα value, for α ≥ 1, were
also identified in [12]. For a recent result on tricyclic graphs see [147].
 -291-

Theorem 148. [12] If n ≥ 5 and α ≥ 1, then among connected tricyclic n-vertex graphs,
only Hn,3 and/or K have/has maximum χα value and K is the graph obtained from K4
by attaching n − 4 pendent vertices to one of the vertices of K4 . More precisely,
χα (Hn,3 ) < χα (K) for 1<α<2
χα (Hn,3 ) > χα (K) for α>2
χα (Hn,3 ) = χα (K) for α = 1, 2.
Also, only the graph Hn,4 has maximum χα value, for α ≥ 1 and n ≥ 6, among connected
tetracyclic n-vertex graphs. Furthermore, Hn,1 is the unique graph with maximum χα
value for α ≥ 1 among connected unicyclic n-vertex graphs.
The unique unicyclic and bicyclic graphs with maximum χ2 value were identified also
in [79].

5.3 General sum–connectivity index of general graphs

Theorem 149. [54] Among n-vertex graphs,

• Kn is the unique graph with maximum χα value for non-zero α > −1;
• the graphs in which each component is regular of non-zero degree, are the only graphs
with maximum χα value for α = −1;
• Sn is the unique graph with minimum χα value for n ≥ 6 (respectively, for sufficiently
1 1
large n) and for −1 ≤ α ≤ 2
(respectively, for 2
< α < 0).

Theorem 150. [178] If −1 ≤ α < 0, n ≥ 5, and 3 ≤ k ≤ n − 1, then among connected

n-vertex graphs, containing at least one cycle, with girth at least k, the graph obtained
from the cycle Cn−k by attaching k pendent vertices to a single vertex of Cn−k , is the
unique graph with minimum χα value.
Tache [170] determined the graphs with maximum χα values from different families
of cacti for α > 1. The next result is a generalized version of Theorem 101.

Theorem 151. [4] If −1 ≤ α < 0 and n ≥ 3, then among connected n-vertex cacti with
k cycles, the graph containing a vertex of degree n − 1 is the unique graph with minimum
χα value.
Theorem 152. [176] If −1 ≤ α < α0 ≈ −0.867 and n ≥ 3, then among connected n-
∗
vertex graphs with minimum degree at least 2, K2,n−2 is the unique graph with minimum
χα value, where α0 is the unique root of 4(4x − 5x ) = 6x .
 -292-

Theorem 153. [176] If −1 ≤ α < β0 ≈ −0.817 and n ≥ 4, then among connected

triangle-free n-vertex graphs with minimum degree at least 2, the complete bipartite graph
K2,n−2 is the unique graph with minimum χα value, where β0 is the unique root of 5 · 4x =
6 · 5x .

Since every 2–connected graph has degree at least 2 and both the extremal graphs
mentioned in Theorems 152 and 153 are 2–connected, thereby Theorems 152 and 153
remains valid if we replace the condition “connected” with “2–connected”.

Conjecture 154. [176] If −1 ≤ α < β0 ≈ −0.817 and 2 ≤ k ≤ n/2, then among

connected triangle-free n-vertex graphs with minimum degree at least k, the complete
bipartite graph Kk,n−k is the unique graph with minimum χα value, where β0 is the unique
root of 5 · 4x = 6 · 5x .

If m ≥ k(n − k), then Conjecture 154 holds due to Theorem 161.

Tomescu [177] surveyed extremal results concerning general sum–connectivity index,
established till 2014.
Tomescu et al. [180] determined the unique species having maximal χα value, α ≥
1, among graphs with fixed order and connectivity (and with fixed order and edge-
connectivity).

Theorem 155. [180] If n ≥ 3 and κ ≥ 1, then among n-vertex graphs with connectivity
κ, Kκ + (K1 ∪ Kn−κ−1 ) is the unique graph with maximal χα value for α ≥ 1.

Corollary 156. [180] If the connectivity “κ” is replaced by the edge-connectivity “λ”
throughout Theorem 155, then the resulting statement remains true.

The next result is also due to Tomescu et al. [180].

Theorem 157. [180] Let G be a 2-connected or 2-edge-connected graph with n ≥ 3

vertices. Then for α > 0, χα (G) is minimal if and only if G ∼
= Cn .

The problem of characterizing graphs having extremum χα values over the collection
of certain polyomino chains, with fixed number of squares, was solved in [17] for α > 1.
The same problem was also addressed in [14] and its solution for the case 0 < α < 1 was
reported there.
 -293-

Theorem 158. [57] If α > 1 or α < 0 (respectively, if 0 < α < 1), then among
catacondensed benzenoid systems with h hexagons,
• the linear benzenoid chain Lh has minimum (respectively, maximum) χα value;
• the benzenoid system with bh/2c − 1 branched hexagons and dh/2 − bh/2ce kinks, has
maximum (respectively, minimum) χα value.
Some extremal results concerning general sum–connectivity index of benzenoid sys-
tems (not necessarily, catacondensed benzenoid systems) can also be obtained from the
results established in [57]. Also, some extremal results related to the general sum–
connectivity index of particular systems (e.g., fluoranthenes, phenylenes etc.) can be
found in [10, 85, 92, 127, 185].

Theorem 159. [214] If G is an (n, m)-graph with m ≥ 1, then


2m

α
≤ m n−1 + n − 2
 for 0 < α < 1
χα (G)
 2m

α
≥ m n−1 +n−2 for α < 0.


The equality sign in either of the above inequalities holds if and only if G is isomorphic
to Kn , Sn or K1 ∪ Kn−1 .

Theorem 160. [214] If G is an (n, m)-graph and α > 1, then

         α
2m 2m 2m
χα (G) ≥ m1−α 2m 2 +1 −n +1
n n n
with equality if and only if G is isomorphic either to a regular graph or a bipartite semireg-
ular graph. Also, the following inequality holds

χα (G) ≥ 4α mα+1 n−α

with equality if and only if G is isomorphic to a regular graph. Furthermore,

χα (G) ≤ 2α m(n − 1)α

with equality if and only if G is isomorphic to either Kn or K n .

Theorem 161. [214] If G is an (n, m)-graph with m ≥ 1, then


≤ mnα for α > 0

χα (G)
≥ mnα for α < 0.


The equality sign in either of the above inequalities holds if and only if G is isomorphic
to a complete bipartite graph.
 -294-

Theorem 162. [214] If G is a non-trivial n-vertex graph, then




 ≤ 2α−1 n(n − 1)α+1 − χα (G) for α > 0



≥ 2α−1 n(n − 1)α+1 − χα (G) for α < 0






χα (G) ≥ 2−1 n(n − 1)α+1 − χα (G) for α ≥ 1



< 2α n(n − 1) − χα (G) for α < 0







> 2−α nα (n − 1)2α − χ (G) for 0 < α < 1.

α

The equality sign in either of the first two inequalities holds if and only if G is isomor-
phic to either Kn or K n . The equality sign in third inequality holds if and only if G is
isomorphic to a regular graph of degree (n − 1)/2.

Theorem 163. [55] If G is a non-trivial connected n-vertex graph and µ1 is the largest
eigenvalue of the general sum–connectivity matrix Sα (G), then
n(µ1 )2 nµ1
χ2α (G) ≥ and χα (G) ≤ .
2(n − 1) 2
The equality sign in the first inequality holds if and only if G ∼
= Kn and the equality sign
in second inequality holds if and only if G is a regular graph.

The first inequality in Theorem 163 is an extended version of the one, given in Theorem
67.
Bianchi et al. [23] derived an upper bound and a lower bound on the general sum–
connectivity index using a majorization technique.

Theorem 164. [55] Let µn and µ1 be the smallest and largest, respectively, eigenvalues of
the general sum–connectivity matrix Sα (G), where G is a non-trivial connected n-vertex
graph. The following inequality holds
 2
µ1 − µn
χ2α (G) ≥
2

with equality if and only if G is a complete bipartite graph.

Theorem 165. [55] Let θt and θ1 be the smallest and largest, respectively, positive eigen-
values of the general sum–connectivity Laplacian matrix Lα (G), where G is a non-trivial
connected n-vertex graph. The following inequality holds
n−1 n−1
θt ≤ χα (G) ≤ θ1
2 2
 -295-

with equality if and only if G ∼

= Kn . If the graph G is bipartite with bipartition (A, B)
then it holds that
|A||B| |A||B|
θt ≤ χα (G) ≤ θ1 .
|A| + |B| |A| + |B|
Réti and Felde [159] derived several bounds on χα with some particular values of α.
Various bounds on the general sum–connectivity index χα , for several graph operations,
were reported in [3, 5].
Wang et al. [190] established bounds on the general sum–connectivity index for several
graph transformations.

Theorem 166. [107] For α < 0, the general sum–connectivity index χα of almost every
n-vertex tree is among (rα ± )n, where rα is some constant and  is an arbitrary positive
number.

Bounds on χ2 can bound in the references [70, 71, 75, 101, 133, 144, 145, 148, 191].

5.4 Relations between the general sum–connectivity index

and other topological indices

Theorem 167. [214] If G is a graph with m ≥ 1 edges and M1 is its first Zagreb index,
then 
α 1−α
≤ (M1 ) m
 for 0 < α < 1
χα (G)

≥ (M1 )α m1−α for α < 0 or α > 1.


The equality sign in either of the above inequalities holds if and only if du +dv is a constant
for every edge uv ∈ E(G).

Theorem 168. [214] If G is a non-trivial n-vertex graph and M1 is its first Zagreb index,
then 
α
≥ (M1 )
 for 0 < α < 1
χα (G)

≤ 2α−1 n(n − 1) for α < 0.


The equality sign in the first inequality holds if and only if G is isomorphic to either
K2 ∪ K n−2 or K n . The equality sign in the second inequality holds if and only if G ∼
= K2 .

Various bounds on the general sum–connectivity index in terms of different graph

parameters, including several other topological indices, were obtained in [69, 134, 162].
 -296-

Theorem 169. [129] If G is a non-trivial n-vertex graph with minimum degree δ, max-
imum degree ∆, second Zagreb index M2 , first geometric–arithmetic index GA and size
at least 1, then
2
(GA)2 (∆2 + δ 2 )GA

≤ χ−2 (G) ≤ √
4M2 4δ∆ M2
with left equality if and only if there is a constant λ such that du dv (du + dv )2 = λ for
every edge uv ∈ E(G), and the right equality holding if and only if G is regular. Also, it
holds that
1 ∗
χ−2 (G) ≤ M (G) .
4 2
Theorem 170. [44] If G is an n-vertex graph and α ≥ 1, then

χα (G) ≥ 0Rα (G)

with equality if and only if G ∼

= nK1 or G ∼
= tK2 ∪ (n − 2t)K1 (t ≤ n2 ) with α = 1.

Acknowledgements. Lingping Zhong thanks the National Natural Science Foundation of

China (No.11501291) for support of this work.

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