The use of 90°-1,3-butadiene as a reference structure for the evaluation of stabilization energies for benzene and other conjugated 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: | Reactions are described that employ 90°-1,3-butadiene as a reference structure for the evaluation of the stabilization energyof the benzenoid and other cyclic conjugated hydrocarbons. The unique benefits of this rotamer of butadiene as a reference molecule within the homodesmotic conceptual framework are discussed. Experimental stabilization energies are presented for a number of cyclic hydrocarbons. |
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