Computation of the direct adiabatic channel for the relaxation of electronically excited C2 H5 radical to give H + C2 H4

Abstract Ab initio 4-31G + 3s RHF computations of the lowest excited state of the ethyl radical show that this species should be either directly dissociative or predissociative. There exists a direct excited-state surface taking the excited state adiabatically to the ground state of ethylene + H.