Issue 7, 1979

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: H2C[double bond, length half m-dash]S + e→ H2C[double bond, length half m-dash] should cause only small changes in the H2C group but a lengthening of the CS bond.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1979, 334-335

Thioformaldehyde radical anion: a PNO–CEPA ab-initio study

P. Rosmus and H. Bock, J. Chem. Soc., Chem. Commun., 1979, 334 DOI: 10.1039/C39790000334

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