Mechanism of Hydrogenolysis. II. A Molecular Orbitals Study of Hydrogenolysis of Toluene
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概要
- 論文の詳細を見る
In hydrogenolysis of toluene to produce benzene and methane, atomic cracking process H+C<SUB>6</SUB>H<SUB>5</SUB>CH<SUB>3</SUB>→C<SUB>6</SUB>H<SUB>6</SUB>CH<SUB>3</SUB> (<I>a</I>) or H+C<SUB>6</SUB>H<SUB>5</SUB>CH<SUB>3</SUB>→C<SUB>6</SUB>H<SUB>5</SUB>+CH<SUB>4</SUB> (<I>b</I>) has been presumed as rate controlling in chain propagation step of the radical chain mechanism. These two alternative processes are compared on the energetics calculated by the extended Hückel M.O. method. The reaction (<I>a</I>), an addition of the attacking hydrogen atom to phenyl carbon atom adjacent to methyl group followed by an elimination of methyl radical in a concerted manner, is found to be the most likely pathway.
- 公益社団法人 日本化学会の論文
著者
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Arai Hiromichi
Department Of Materials Science And Technology Graduate School Of Engineering Science Kyushu Univers
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Uchiyama Masao
Department Of Pharmacology Showa University School Of Medicine
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Sato Yoshiki
Department Of Urban Management Kyoto University
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Amano Akira
Department of Applied Chemistry, Faculty of Engineering, Tohoku University
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Tominaga Hiroo
Department of Synthetic Chemistry, Faculty of Engineering, The University of Tokyo
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Kunugi Taiseki
Department of Synthetic Chemistry, Faculty of Engineering, The University of Tokyo
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Sato Yoshiki
Department of Applied Chemistry, Faculty of Engineering, Tohoku University
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Kunugi Taiseki
Department of Synthetic Chemistry, Faculty of Engineering, University of Tokyo
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