PSEUDOROTATIONAL POTENTIAL FUNCTIONS AND ENERCY LEVELS FOR SPIRO COMPOUNDS
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Date
1988
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Ohio State University
Abstract
Spiro compounds containing two identical joined rings which can undergo ring-puckering vibrations are expeected to have two-dimensional potential energy surfaces of the form $V= a(x^{4}_{1} + x^{4}_{2}) + b(x^{2}_{1} + x^{2}_{2}) + cx^{2}_{1}x_{2}^{2}$, where $x_{1}$ and $x_{2}$ represent the ring-puckering of the individual rings and where a, b, and c are the potential constants. When the value of the interaction constant c approaches twice the value of the quartic constant a the potential funciton and the energy levels approach those of a free pseudorotor. The calculations are such systems will be discussed.
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Author Institution: Department of Chemistry, Texas A{\&}M University