An MO Calculation of 1,3-Dipolar Cycloaddition between Ethylene and Diazomethane
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概要
- 論文の詳細を見る
A semiempirical SCF MO calculation of the reaction between ethylene and diazomethane was carried out as an example of 1,3-dipolar cycloaddition. A calculation of the interaction energy and electron population by the use of the configuration interaction wave function showed that the formation of the two new bonds in this reaction is concerted but non-synchronous. This result is attributable to the extension of the highest occupied molecular orbital of diazomethane.
- 公益社団法人 日本化学会の論文
著者
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Fukui Kenichi
Faculty of Engineeering Kyoto University
-
Fujimoto Hiroshi
Faculty of Engineering, Kyoto University
-
Minato Tsutomu
Faculty of Engineering, Kyoto University
-
Yamabe Shinichi
Faculty of Engineering, Kyoto University
-
Inagaki Satoshi
Faculty of Engineering, Kyoto University
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