The conformations of 2-phenylpropionaldehyde and some aliphatic ketones. The possible importance of the CH/.PI. and CH/n interactions in determining the molecular geometry of a mobile system.
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概要
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The conformations have been studied by means of NMR spectroscopy, largely by the computer simulation of the lanthanoid-induced shifts, for a series of aliphatic carbonyl compounds with the following structures: CH<SUB>3</SUB>CH(C<SUB>6</SUB>H<SUB>5</SUB>)CO–R; R=H, CH<SUB>3</SUB>, C<SUB>2</SUB>H<SUB>5</SUB>, <I>i</I>-C<SUB>3</SUB>H<SUB>7</SUB>, and <I>t</I>-C<SUB>4</SUB>H<SUB>9</SUB>. It has been suggested that two rotamers are important in the conformational equilibria of these ketones, in which the R–C–C–C<SUB>6</SUB>H<SUB>5</SUB> dihedral angle is <I>ca.</I> 30° and <I>ca.</I> 90°. The relative stability of the above two rotamers has been found to depend on the nature of the alkyl group, R. The results have been discussed in light of the possible weak attractive forces, the CH/π and CH/n interactions.
- 公益社団法人 日本化学会の論文
著者
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UZAWA Jun
The Institute of Physical and Chemical Research
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Zushi Shoji
Central Research Institute Of Meiji Seika Kaisha Ltd.
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UMEMURA KOSHIRO
Central Research Laboratories, Meiji Seika Kaisha, Ltd.
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Umemura Koshiro
Central Research Laboratories Meiji Seika Kaisha Ltd.
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Hirota Minoru
Department Of Animal Science Obihiro University Of Agriculture And Veterinary Medicine
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Zushi Shoji
Central Research Laboratories, Meiji Seika Kaisha, Ltd.
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Kodama Yoshio
Central Research Laboratories, Meiji Seika Kaisha, Ltd.
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Nishihata Ken
Central Research Laboratories, Meiji Seika Kaisha, Ltd.
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Nishio Motohiro
Central Research Laboratories, Meiji Seika Kaisha, Ltd.
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Nishihata Ken
Central Research Laboratories, Meiji Seika Kaisha Ltd.
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Kodama Yoshio
Central Research Laboratories, Meiji Seika Kaisha Ltd.
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Nishio Motohiro
Central Research Laboratories, Meiji Seika Kaisha Ltd.
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Hirota Minoru
Deparment of Synthetic Chemistry, Division of Materials Science and Chemical Engineering, Faculty of Engineering, Yokohama National University
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