On the molecular structure of cycloheptadiene |
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| Authors: | NL Allinger JT Sprague |
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| Institution: | Departments of Chemistry, University of Georgia, Athens, Ga. 30602 and Wayne State University, Detroit, Michigan 48202 USA |
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| Abstract: | Molecular mechanics calculations on cycloheptadiene indicate that the molecule has a structure which undergoes a wide pseudorotational motion between two C1 forms, and a C1 form, and this structure is in equilibrium with the C2 form. It is shown that this equilibrium mixture is consistent with all of the available experimental data. |
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| Keywords: | Correspondence should be directed to this author at the University of Georgia |
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