An alternative approach to the problem of assessing destabilization energies (strain energies) in cyclic hydrocarbons |
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Authors: | Philip George Mendel Trachtman Charles W Bock Alistair M Brett |
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Institution: | Department of Biology, University of Pennsylvania, Philadelphia, PA 19174, U.S.A.;Department of Chemistry, Weizmann Institute of Science, Rehovot, Israel;Department of Chemistry, Philadelphia College of Textiles and Science, Philadelphia, PA 19144, U.S.A. |
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Abstract: | Reaction involving no hypothetical structures having averaged group energies or particular bond energy assignments are described, that provide an alternative basis for evaluating strain energies of cyclic hydrocarbons. These reactions match CC bonds in the sense of having equal number of sp3-sp3, sp3-sp2, sp2-sp2, etc. bonds in reactants and products, while simultaneously matching various CH bonds as closely as possible. Such reactions single out those structural features that lead to destabilizations of strained ring systems. Theoretical and experimental molecular indices are introduced as a measure of these destabilizing effects, and are compared ring strain energies. |
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