CHEM 482 problem set 4

CHEM 482 problem - x orbital centered on the other atom b Sketch the overlap integral of an s orbital centered on one atom with a p z orbital

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Problem Set 4 CHEM 482 Molecular Structure Fall 2009 Suggested completion date: November 30, 2008 (This assignment will not be collected.) Read the following sections in Atkins: 4.0 – 4.6, 4.7a-b, 4.8 Solve the following in Atkins: Discussion Questions: 4.1, 4.5, 4.6 Exercises: 4.1b, 4.3b, 4.4b, 4.5b 4.6b, 4.10b, 4.12b Problems: 4.4 (a rough, qualitative sketch is fine), 4.5 (a rough, qualitative sketch is fine), 4.10, 4.12, 4.14, 4.15, 4.23 Supplemental Problems 4.1, 4.2 and 4.3
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Supplemental Problem 4.1 Explain the physical basis of the Born-Oppenheimer approximation and qualitatively describe how it is applied to calculate wavefunctions of a diatomic molecule. Supplemental Problem 4.2 Explain why molecular orbital theory fails to reproduce the dissociation energy of H 2 . Supplemental Problem 4.3 For a diatomic molecule whose molecular axis is along the z-direction: a. Sketch the overlap integral of an s orbital centered on one atom with a p
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Unformatted text preview: x orbital centered on the other atom. b. Sketch the overlap integral of an s orbital centered on one atom with a p z orbital centered on the other atom. Course Topic Atkins sections Problems 30 11/9 Molecular Structure Born-Oppenheimer approximation 4.0 SP4.1 31 11/11 molecular orbitals in H2+ (LCAO) 4.3 E4.6b, P4.4, P4.5 32 11/13 energy of H2+ molecular orbitals 4.3 P4.23 bonding in H2+ 4.3 33 11/16 bonding in H2: valence bond and molecular orbital models 4.1, 4.4a D4.1, SP4.2 bonding in other diatomic molecules: MO theory 4.4-4.5 34 11/18 secular determinants 4.5 molecular orbital energy diagrams 4.4-5 photoelectron spectroscopy 4.4e E4.10b, P4.12 36 11/20 symmetry and nomenclature of diatomic MOs 4.4 SP4.3 energy diagrams for second-row diatomic molecules 4.4 E4.1b, E4.3b, E4.4b, E4.5b, P4.10 37 11/23 bonding in polyatomic molecules 4.2 Huckel approximation 4.6, 4.8 D4.5, D4.6, E4.12b, P4.14, P4.15...
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This note was uploaded on 03/03/2010 for the course CHEM 431 taught by Professor Pielak during the Spring '07 term at UNC.

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CHEM 482 problem - x orbital centered on the other atom b Sketch the overlap integral of an s orbital centered on one atom with a p z orbital

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