A theoretical study on the ionic states of difluoroethylene with an analysis of the vibrational structure of the photoelectron spectra Original Research Article

Ab initio calculations have been performed to study the molecular structures and vibrational levels of the low-lying ionic states of difluoroethylene. The equilibrium molecular structures and vibrational modes of these states are presented. The theoretical ionization intensity curves including the vibrational structures of the ionic states are also presented and compared with the photoelectron spectra.