Dissociative electron attachment in C2H via electronic resonances

Abstract

Investigation of microwave-activated CH/H plasma used in chemical vapour deposition of diamond revealed the presence of electronically excited C (B). Using high-level electronic structure methods, we investigate electronic structure of CH and suggest possible routes for the formation of C in the ground (X) and excited (B) states via electronic resonances. To describe electronically metastable states, we employ the equation-of-motion coupled-cluster method augmented by the complex absorbing potential. The resonance wavefunctions are analysed using natural transition orbitals. We identified several resonances in CH, including the state that may lead to C (B).