A theoretical study on the electron-exchange mechanism in the CF3H+Ar(3P) →CF*3 + H + Ar reaction

Hideaki Takahashi, H. Ohoyama, T. Kasai, K. Kuwata, M. Nakano, K. Yamaguchi

研究成果: Article査読

3 被引用数 (Scopus)

抄録

The orientational dependence of the exterior electron densities was calculated by ab initio RHF method in the CF3H + Ar(3P) →CF*3 + H + Ar reaction to account for the electron-exchange mechanism. The results showed that the 6a1 orbital of CF3H is responsible for the two reactive sites on the molecular axis and the la2 orbital for the side-on reactive site, confirming a close relationship between the spatial distribution of the molecular orbitals and the shape of opacity function.

本文言語English
ページ(範囲)445-450
ページ数6
ジャーナルChemical Physics Letters
224
5-6
DOI
出版ステータスPublished - 1994 7 22
外部発表はい

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

フィンガープリント 「A theoretical study on the electron-exchange mechanism in the CF<sub>3</sub>H+Ar(<sup>3</sup>P) →CF<sup>*</sup><sub>3</sub> + H + Ar reaction」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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