JAHN-TELLER DISTORTIONS OF MOLECULES: A MOLECULAR ORBITAL DESCRIPTION OF CYCLOBUTADIENE, CYCLOPENTADIENYL RADICAL, AND BENZENE POSITIVE AND NEGATIVE IONS

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1960

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Ohio State University

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“The Jahn-Teller distortions of cyclobutadiene, cyclopentadienyl radical, and benzene positive and negative ions are given molecular orbital descriptions, with computational procedures conveniently performed on an electronic computer. Theoretical values of energy, bond lengths, and electron spin density have been computed for the symmetrical and distorted configurations of these molecules. Preliminary descriptions are also given of the negative ions of coronene, triphenylene, and 1, 3, 5-triphenylbenzene.”

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Author Institution: Bell Telephone Laboratories, Incorporated

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