Theoretical Determination of the Principal Axes of <SUP>13</SUP>C Chemical Shielding Tensors and their Relationship to the Anisotropies in Some Organic Compounds
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概要
- 論文の詳細を見る
The principal axes and values for the <SUP>13</SUP>C chemical shielding tensors of carbonyl compounds (formaldehyde, acetaldehyde, acetone, and formic acid), methanol, and <I>n</I>-paraffins (propane and <I>n</I>-butane) have been determined theoretically by the LCGI–MO theory using the MINDO/2 method. Further, their anisotropies have been estimated. These results have then been discussed by comparing them with the observation of Pines <I>et al</I>. and in part compared with the anisotropies in the literature calculated by using other theoretical methods.
- 公益社団法人 日本化学会の論文
著者
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Ando Isao
Department Of Chemistry And Materials Science Tokyo Institute Of Technology
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KONDO Masahiro
Department of Basic Veterinary Sciences, The United Graduate School of Veterinary Sciences, Gifu University
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Nishioka Atsuo
Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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Nishioka Atsuo
Department of Polymer Chemistry, Tokyo Institute of Technology
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Kondo Masahiro
Department of Polymer Chemistry, Tokyo Institute of Technology
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