Journal of Physical Chemistry, Vol.99, No.16, 5967-5969, 1995
Gaussian-2 Ab-Initio Study of Ch3Ssch2 and Ch3Sf
The structures and energetics for CH3SSCH2 and CH3SF have been investigated at the Gaussian-2 level of ab initio theory. The calculated ionization energies for CH3SSCH2 and CH3SF are found to be in excellent agreement with the experimental measurements of Baker and Dyke (J. Phys. Chem. 1994, 98, 757).