Problem Set 3 chem173A 2009

Problem Set 3 chem173A 2009 - Problem Set 3 Chemistry...

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Problem Set 3 Chemistry 173a/268a Fall 2009 Due: Nov 13, 2009 1) (5 points) (a) Using the ‘project operator’ method generate the SALCs for two H1s orbitals in D 2h symmetry. Show your work. (b) Check that your SALCs are orthogonal. C H1s H1s z x y 2) (9 points) (a) Using the point group D 2h , draw the orbital combinations for linear CH 2 and construct the corresponding MO diagram (N.B. label your molecular orbitals with the appropriate Mulliken symbols). When determining the ordering the molecular orbitals assume that all the anti-bonding orbitals are higher in energy than any of the bonding or non-bonding orbitals. (b) How many bonding and anti-bonding orbitals does CH 2 possess? (c) Does CH 2 contain any non- bonding orbitals? If so, why? (d) Is this molecule diamagnetic or paramagnetic? 3) (5 points) (a) Using the ‘project operator’ method generate the SALCs for two H1s orbitals in C 2v symmetry. Show your work. (b) Check that your SALCs are orthogonal. C
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This note was uploaded on 01/09/2011 for the course CHEM 173A taught by Professor Unknown during the Spring '08 term at UCSB.

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