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

✍ Scribed by H. Takahashi; H. Ohoyama; T. Kasai; K. Kuwata; M. Nakano; K. Yamaguchi

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
491 KB
Volume
224
Category
Article
ISSN
0009-2614

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✦ Synopsis

AhSlId

The orientational dependence of the exterior electron densities was calculated by ab initio RHF method in the CFJI + Ar( lP) +CF$ + H + Ar reaction to account for the electron-exchange mechanism. The results showed that the 6ar orbital of CF3 H is responsible for the two reactive sites on the molecular axis and the la, 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.

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