Potential energy surface of SOCl3 -

Sulfur trichloride monoxide anion (SOCl3-) is stable in the gas phase. The G2 estimate of the energy for its dissociation to thionyl chloride and chloride anion is 102.8 kJ mol-1. The potential energy surface for the reaction SOCl2 + Cl- → SOCl3- has just a single well corresponding to the product. Collision-induced dissociation observed using a flowing afterglow-tandem mass spectrometer indicates a D0(SOCl2−Cl-) bond energy of 85.4 ± 7.6 kJ mol-1, which is very similar to the previously determined bond energy D0(SCl2−Cl-) = 85 kJ mol-1

Synthesis, Structural Analysis, and Superconductivity of BaxV6S8

A nonstoichiometric ternary vanadium sulfide, BaxV6S8 (X = 0.41-0.48), was synthesized. This solid-state compound crystallizes in the hexagonal space group P63/m (no. 176) with a = 9.2080(3) \uc5, c = 3.3169(2) \uc5, V = 243.55(2) \uc53, and Z = 1. The structure of this solid is similar to that of its parent compound V3S4, consisting of face-sharing, distorted octahedral VS6 units. A superconducting transition of the solid at approximately 2.5 K was observed. A computational analysis of the electronic structure using the extended H\ufcckel method is presented