Study on Potential Energy Functions and Spectrum Constants of VF~(n±)(n=0,1,2)

The potential energy functions and spectrum constants of VFn±(n=0,1,2) have been analyzed by the density functional method(B3LYP/6-311++g(d,p)).The results show that all of them can exist stably.Their ground electronic states are 5Π(VF),4Σ(VF+),4Σ(VF-),3Σ(VF2+) and 5Σ(VF2-).Among them,the potential energy curves of VF2± have the form of a volcanic crater.The molecules of VF2± are in meta-stable states.All potential energy curves have been fitted with the eight-parameter Murrell-Sorbie functions.It has been found that the fitting curves of the meta-stable ions VF2± are well in accordance with their potential energy curves.However,the four-parameter Murrell-Sorbie functions are not suitable for VF2±.At the same time,the effect of charge on the potential energy functions and energy levels have also been discussed.