In this paper

theoretical study of the possible decompositionof the Density Functional Theory，and calculate the equilibrium geometriesreaction pathways of CQ F

N byme月nSof the stable points on the reactionL曰 a pPotential Energy Surface，and the harmonic vibration frequencies analysis is completed.Theandmmtmum energy(MEP) is obtained by The intrinsic reaction coordinate(IRC)theory. A lot of CF3，many complex chemical reaction formed CF3 CN. The electrical strength of CF3 CN is 1CF radical canoccurtimes that of SFfi.have such high electrical strength is beneficial for increase insulation of electrical equipment. The reactionCF3CNchannelto yield CF3 CN+CF is the major channel. The reaction channel to yieldCF3+FCNC is the