13C-NMR studies on conformational equilibria in isopropyl methyl ether.
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概要
- 論文の詳細を見る
The energy difference between the two rotational isomers, <I>i.e.</I>, Cs and C<SUB>1</SUB>, of isopropyl methyl ether has been elucidated from the observed vicinal <SUP>13</SUP>C-<SUP>1</SUP>H coupling constant. The conventional Gutowsky method based on the simple rotational isomeric state model tends to give an underestimate, especially when the energy difference is large. A more elaborate treatment, which takes account of the overall profile of the torsional potential energy curve, has been attempted. Adoption of <I>J</I><SUB>T</SUB>=11.0–12.0 Hz for the trans coupling gave a value of 2.2±0.2 kcal mol<SUP>−1</SUP> for the energy difference <I>E</I><SUB>c<SUB>s</SUB></SUB>–<I>E</I><SUB>c<SUB>1</SUB></SUB>. This result is consistent with the range (2.4±0.6 kcal mol<SUP>−1</SUP>) estimated by the matrix-isolation method as reported by Nakata <I>et al</I>.
- 公益社団法人 日本化学会の論文
著者
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Sasanuma Yuji
Department Of Applied Chemistry And Biotechnology Faculty Of Engineering Chiba University
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Ando Isao
Department Of Chemistry And Materials Science Tokyo Institute Of Technology
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Abe Akihiro
Department of Applied Chemistry, Tokyo Polytechnic University
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Abe Akihiro
Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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Tasaki Kenzabu
Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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Ando Isao
Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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