Isomerization and dissociation reaction pathways of C2H4S+ associated with photoionization of c-C2H4S have been explored on the potential energy surfaces by the global reaction route mapping (GRRM) method. Reaction channels yielding C2H3S+, HCS+, H2S+, C2H3 +, and C2H2S+ were disclosed. Calculated values of energy barriers to transition states and direct dissociation energies gave theoretical supports to recent synchrotron radiation experiments generating HCS+ and C2H3S+.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry