Molecular fragmentations: Part VII. Structures and energies of mass spectral fragments derived from benzene |
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Authors: | James R Bews Christopher Glidewell |
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Institution: | Chemistry Department, University of St. Andrews, St. Andrews, Fife KY16 9ST Gt. Britain |
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Abstract: | Molecular structures and energies have been calculated, using MINDO/3, of the mass spectral ions arising from benzene: (C6H6)+ (three non-valence isomers); (C6H5+); (C5H3+) (four isomers); (C4H4)+ (three isomers); (C4H3)+ (two isomers); (C4H2)+ (four isomers); (C3H3)+; and (C2H2)+. Calculations have been made for the conjugate neutral fragments, allowing calculation of appearance potentials, and also for the ion (C6H7)+. |
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Keywords: | Author for all correspondence |
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