Citation: Wei Xing LI, Xun Jun ZHOU Nian Ci WU, Guo Qiang CAI. AB INITIO CALCULATION ON CAPTODATIVE EFFECT OF THE FREE RADICAL OF 2,2,2-TRIFLUOROETHYLAMINE[J]. Chinese Chemical Letters, ;1993, 4(1): 73-74. shu

AB INITIO CALCULATION ON CAPTODATIVE EFFECT OF THE FREE RADICAL OF 2,2,2-TRIFLUOROETHYLAMINE

1.
Department of Chemical Engineering, Zhejiang Institute of Technology, Hangzhou 310014;
2.
Department of Chemistry, Hangzhou University, Hangzhou 310028;
3.
Department of Chemistry, Zhejiang University, Hangzhou 310027

Received Date: 13 April 1992

This letter presents ab initio calculation of Captodative effect on 2,2,2-trifluoroethylamine free radical on STO-3G level. The △Ecd is -50. 15 kJ/mol, which means that this radical is of extra stabilization energy.
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