Theoretical study of the thioformyl ion

The equilibrium structure of the thioformyl ion has been determined from an ab initio matrix Hartree-Fock calculation, and an estimated rotation constant has been derived. A rotation constant of 21.7 GHz is obtained for HCS(+); the corresponding constant for DCS(+) is 18.3 GHz. If the vibration-rotation interaction constants for HCS(+) are assumed to be the same as those for HCP, then the rotation constant is 21.6 GHz, while the vibration-rotation constants of DCP give a rotation constant of 18.3 GHz for DCS(+).