A molecular orbital study of conformational behavior of 9,9'-bifluorenylidene.
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概要
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The conformation of 9,9′-bifluorenylidene and the <I>E</I>→<I>Z</I> isomerization of its derivatives were examined by a two-configuration SCF calculation with the MINDO/3 approximation. The twisted conformation was calculated to be more stable than the folded one. The <I>E</I>–<I>Z</I> isomerization occurs between two twisted conformers and the 90°-twisted structure is the transition state. The structural dependence of the rotational barrier of the isomerization is discussed.
- 公益社団法人 日本化学会の論文
著者
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Kikuchi Osamu
Department Of Anesthesia Kitano Hospital The Tazuke Kofukai Medical Research Institute
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Nakayama Mitsunobu
Department Of Chemistry Tokyo University Of Education
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Morihashi Kenji
Department Of Chemistry University Of Tsukuba
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Matsushita Ken-ichi
Department of Chemistry, The University of Tsukuba
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