L8-Hueckel

L8-Hueckel - The Hueckel approxima1on 4 Solve secular...

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Unformatted text preview: The Hueckel approxima1on 4 Solve secular determinant for butadiene and find energies Once energies are known, we may determine wavefunc1ons The four p electrons—one from each carbon atom– occupy the two lowest MOs Benzene Wave Func1ons Transforma)ons of the benzene molecule Rota1on of benzene by 60o about the six ­fold rota1on axis does not change its appearance there is a symmetry element one can iden1fy and there are symmetry opera1ons leaving the geometry of the molecule unchanged a rotate by 60o six ­fold rota1on axis a The rota)on axis is a six ­fold rota)on axis because we can repeat the opera)on six )mes before we get back to the original orienta)on of the benzene molecule ...
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This note was uploaded on 04/04/2011 for the course CHE 110B taught by Professor Galli during the Winter '11 term at UC Davis.

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