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Synchronized distortions of bicyclobutanes
Authors:Michael N. Paddon-Row  K.N. Houk  Paul Dowd  Philip Garner  Raymond Schappert
Affiliation:Department of Chemistry, University of Pittsburgh Pittsburgh, Pennsylvania 15260, U.S.A.
Abstract:The linear relationship between flap angle, θ, and bridging bond length, r13, in bicyclobutanes, found empirically by Irngartinger through x-ray analysis, is reproduced by ab initio STO-3G calculations. Additional distortions of the bicyclobutane geometry which are synchronized with flap angle variations are predicted.
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