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Tut

This document provides 6 chemistry problems related to molecular orbitals and hybridization to solve before a tutorial session. The problems cover topics like identifying molecules from photoelectron spectra, explaining differences in binding energies based on MO configurations, sketching MO diagrams and contours for diatomic molecules, writing the Hamiltonian for H3+, drawing hybridized orbitals, and calculating coefficients and angles of hybrid orbitals. Students are instructed to solve these problems in preparation for the tutorial.

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arvind murali
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335 views

Tut

This document provides 6 chemistry problems related to molecular orbitals and hybridization to solve before a tutorial session. The problems cover topics like identifying molecules from photoelectron spectra, explaining differences in binding energies based on MO configurations, sketching MO diagrams and contours for diatomic molecules, writing the Hamiltonian for H3+, drawing hybridized orbitals, and calculating coefficients and angles of hybrid orbitals. Students are instructed to solve these problems in preparation for the tutorial.

Uploaded by

arvind murali
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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CH 107 Tutorial 5

Please solve these problems BEFORE the tutorial session

1. Photoelectron spectrum of a second-row homonuclear-diatomic molecule was recorded using


21.21 eV photons. It is observed that KEMax of ejected electrons from the top three HOMOs were
10.01, 8.23 and 5.22 eV, having intensity ratios of 1:2:1. Sketch the MO energy level diagram and
hence identify the molecule.

2. The binding energy of N2+ is less than that of N2 whereas the binding energy of O2+ is greater than
that of O2. Explain on the basis of M.O. configurations.

3. Sketch the  and * MO contours (not energies) for N2 and CO and qualitatively show the difference.

4. Write down the Hamiltonian for a triangular H3+ molecular ion (hypothetical, with equal H – H bond
lengths). Write the complete expression for the lowest energy MO (include spin). Draw a qualitative
sketch of bonding and antibonding MOs using 1s AOs.

5. Draw a qualitative contour sketch of a 2s-2p hybridized orbital oriented along -y direction showing
the position of the nucleus, and the nodal plane/surface.

6. What are the coefficients of the AOs in the hybrid orbitals sp, sp2 and sp3. Rationalize the values of
the coefficients of the above hybrid orbitals. Using the coefficients, compute the angles between the
hybrid orbitals.

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