Experimental and theoretical results of resonant and normal Auger decay in dichloromethane

The Auger electron spectra after the chlorine 2p excitation and ionization in the gas phase CH2Cl2 and CD2Cl2 molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory to compute the Cl L2,3VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra