Answer to Question #343991 in Physical Chemistry for Chinnu

Question

Set up the secular determinants for cyclobutadiene, benzene, and cyclooctatetraene and diagonalize them by using mathematical software. Use your results to show that the π molecular orbitals of monocyclic polyenes with an even number of carbon atoms follow a pattern in which:

• The π molecular orbitals of lowest and highest energy are non-degenerate.

• The remaining π molecular orbitals exist as degenerate pairs.

Answer 1

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