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MO Theory Questions

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Contains short answer questions on MO theory

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  • December 10, 2021
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CHEM1810 Tutorial 4

Inorganic Chemistry – Structure and Bonding

Hybridization Theory and Molecular Orbital Theory

For discussion in the week of November 15, 2021
1. For each of the following molecules and ions, write the Lewis structure and use
VSEPR to predict its shape
i. XeO3
ii. IO4-
iii. TeCl4
iv. BrF3
v. CH2Cl2
vi. SnCl62-

2. Draw the most favourable Lewis structure for nitrosyl chloride (NOCl) and PF2Cl3.
Use the postulates of VSEPR theory to deduce the 3D structure of these molecules
and state the expected bond angles.
Describe the hybridization around the central atom, sketch the shape of the hybridized
atomic orbital, and provide the orbital energy diagram of the valence electrons of the
central atom for each molecule.

3. Predict the molecular geometry of methane, ammonia and water and account for the
differences in bond angles.

4. Explain the following trend in bond angles PI3 (102 o), PBr3 (101.1 o), PCl3 (100.3 o),
PF3 (97.8 o).

5. Explain why the PF3 molecule has a dipole moment of 1.03 D but BF3 molecule has a
dipole moment of 0 D.

6. Draw a molecular orbital energy diagram for NO. Sketch the shape of the atomic
orbitals for nitrogen and oxygen, and the molecular orbitals that results from the
combination of these orbitals. Which will be the HOMO and the LUMO?

7. Use MO theory to explain the trend in bond lengths for NO, NO +, and NO-. How does
the MO explanation in bond length matches with the Localized Electron Model’s
treatment of these species?

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