CNDO/2 calculations of ionization potentials of some fouorosubstituted conjugated hydrocarbons.
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概要
- 論文の詳細を見る
The ionization potentials of the fluorosubstituted derivatives of ethylene, <I>trans</I>-1,3-butadiene, and benzene were calculated by using the modified CNDO/2 method. In agreement with the available experimental facts, the ionization potentials due to the π-electron were predicted to change little on fluorination, while those due to the σ-electron were predicted to suffer a more or less large change on fluorination. An explanation for this fact, called the perfluoro effect, can be given by a simple perturbational treatment.
- 公益社団法人 日本化学会の論文
著者
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Hayashi Toshio
Department Of Bioldgy College Of General Education University Of Tokyo Komaba
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Nakajima Takeshi
Department of Chemistry Faculty of Science Tohoku University
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