Electronic structures and conformations of N-benzylideneanilines. I. Electronic absorption spectral study combined with CNDO/S CI calculations.
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概要
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The electronic structures and molecular conformations of <I>N</I>-benzylideneaniline and its several derivatives bearing 2-methyl, 2,6-dimethyl, and/or 4-nitro groups on the anilino benzene ring (ring A) have been investigated by electronic absorption spectroscopy combined with CNDO/S CI calculations. The lower energy bands are assigned and the molecular conformations are estimated. The results show that the 4-nitro derivatives as well as the 2,6-dimethyl derivatives take considerably twisted conformations.
- 公益社団法人 日本化学会の論文
著者
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Tokumaru Katsumi
Department of Chemistry Faculty of Science The University of Tokyo
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Kobayashi Tsunetoshi
The Institute for Solid State Physics, The University of Tokyo
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Akaba Ryoichi
Department of Chemistry, The University of Tsukuba
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Akaba Ryoichi
Department of Applied Chemistry, Faculty of Engineering, Gunma University
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