Molecular Structure of Diphenyl Sulfide in the Gas Phase

摘要

Gas-phase electron diffraction and quantum-chemical calculations were used to study the molecular structure of diphenyl sulfide. It is shown that the diphenyl sulfide molecule (PhS2) possesses C2 symmetry. The main geometrical parameters are as follows: r_a(C-S) 1.774(2) A, r_a(C-C)_(av) 1.401 A, angleCSC 103.4(11)~(deg), angleSCC 122.5 and 117.9(6)~(deg), and angleCCC_(av) 120.0~(deg). The torsion angles about C-S bonds tau (CSCC) are -49.6(1.4)~(deg).