G. Favini, C. Rubino, R. Todeschini
Nov 1, 1977
Citations
0
Influential Citations
15
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract Quantum mechanical calculations indicate that the most stable conformation for 1,3-cycloheptadiene is a C s semi-planar form, for trans -cyclooctene a C 2 twist form and for cis -cyclooctene a form without symmetry. An equilibrium between two C 1 forms and the C s form can be suggested as a consequence of the negligible rotational barrier in 1,3-cycloheptadiene; no obviously preferred conformations exist in cis -cyclooctene, where the molecule is quite flexible. Theoretical results are consistent with the experimental data available.