Thioformaldehyde radical anion: a PNO–CEPA ab-initio study
Abstract
The ground state of thioformaldehyde radical anion (2B1) is calculated to be bound, near to its quasiplanar equilibrium geometry; the acquisition of an electron: H2CS + e–→ H2C
S·– should cause only small changes in the H2C group but a lengthening of the CS bond.