Molecular conformations of ortho-substituted benzophenones
- 15 January 1976
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 54 (2) , 226-230
- https://doi.org/10.1139/v76-035
Abstract
The minimum energy conformations of some mono- and di-substituted benzophenones were determined from contour maps of potential energy calculated by a semiempirical approach. The electrostatic interactions play a relevant role in the relative stabilities when different minima are possible. Comparison with the available experimental data reveals a good agreement with geometrical data, and a poorer agreement with energies in highly strained conformations.Keywords
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