Citation:
Wang Gui-Chang, Pan Yin-Ming, Cai Zun-Sheng, Zhao Xue-Zhuang. Theoretical Study of the Reactivity of the Addition of Radicals to Fluoro-ethylenes[J]. Acta Physico-Chimica Sinica,
;1998, 14(02): 127-130.
doi:
10.3866/PKU.WHXB19980206
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In this paper the reactivity of radical -- molecular addition reaction is studied interms of AM1 semi- empirical method and the Lewis acid- base theory. The results suggest thatthe reactivity of such reactions is determined mainly by the perturbation energy between the tworeactants while the electrostatic energy between charges has only a small effect on it. In addition,it is found that there is a strong interaction between the two reaction center atoms.
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Keywords:
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Addition reaction
, - Activation energy,
- AMl,
- Lewis acid-base theory
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