Molecular structure and conformation of dimethyltrisulfane, CH3SSSCH3, as determined by ab initio molecular orbital calculations and gas-phase electron diffraction

Shen Q; Wells C; Hagen K

Inorganic Chemistry, Vol.37, No.15, 3895-3898, 1998

Shen Q, Wells C, Hagen K

Gas-phase electron diffraction and ab initio calculations suggest dimethyltrisulfane exist as a mixture of G+G+ (C-2 symmetry) and G+G- (C-s symmetry) forms with the former lower in energy. The C-S-S-S dihedral angle for the G+G+ form is about 80 degrees.