ONE AND TWO DIMENSIONAL POTENTIAL FUNCTIONS FOR SOME RING MOLECULES: CYCLOPENTENE, 1,4 DIOXADIENE, s-TETRAZLNE AND 2-CYCLOHEXEN-1-ONE

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1977

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Ohio State University

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Abstract

The vibrational data on the low-frequency out-of-plane modes for several ring molecules have been interpreted using a Hamiltonian appropriate to a two-dimensional anharmonic oscillator. An approximate one-dimensional treatment is shown to lead to a good estimate of the potential constants in the two-dimensional Hamiltonian. Analysis of the low-frequency Raman spectrum of 2-cyclohexene-1-one with a one-dimensional Hamiltonian yields an estimate to the barrier to planarity of $\sim$3kcal/mole.

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Author Institution: Department of Chemistry, University of Georgia

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