Regular Article

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

¹ Instituto de Fsica, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ, Brazil
² Canadian Light Source Inc., 44 Innovation Blvd, Saskatoon, SK, S7N 2V3, Canada
³ Instituto de Qumica, Universidade Federal do Rio de Janeiro, 21941-909 Rio de Janeiro, RJ, Brazil
⁴ Departamento de Fsica, Universidade Federal Rural do Rio de Janeiro, 23890-000 Seropédica, RJ, Brazil

^a e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.

Received: 14 November 2018
Received in final form: 25 January 2019
Published online: 17 April 2019

Abstract

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 L_2,3VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra.