Re-examination of the Anodic Oxidation of N, N-Dimethylaniline, Using Parametric Method 3
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概要
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A semi-empirical calculation (PM3) was applied to elucidate the anodic oxidation mechanisum of N, N-dimethylaniline (DMA) and the dimerization of a cation radical (A) derived from DMA was ruled out. The heat of reaction value of the dimerization of A was 42.43 kcal/mol. We propose the following. Cation radical A reacts with DMA to generate another cation radical (D). This reaction was exothermic and the heat of reaction value and the activation energy were -0.35 kcal/mol and 1.31 kcal/mol, respectively. Deprotonation of D by DMA gives neutral radical (E), which is oxidized to TMB by A. All these reactions were exothermic.
- 公益社団法人日本薬学会の論文
- 2000-09-01
著者
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YAMAOKA Yumiko
Faculty of Pharmaceutical Sciences, Kobe Gakuin University
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Yamaoka Y
Kobe‐gakuin Univ. Kobe Jpn
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Yamaoka Yumiko
Faculty Of Pharmaceutical Sciences And High-technology Research Center Kobe-gakuin University
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OSAWA Eriko
Faculty of Pharmaceutical Sciences and High-Technology Research Center, Kobe-Gakuin University
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MICHIDA Takashi
Faculty of Pharmaceutical Sciences Kobe-Gakuin University
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Osawa E
Kobe‐gakuin Univ. Hyogo Jpn
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Osawa Eriko
Faculty Of Pharmaceutical Sciences And High-technology Research Center Kobe-gakuin University
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