ACCURATE HEATS OF FORMATION FOR SFN, SFN- FOR N=1-6(, AND SFN)

Accurate heats of formation are computed for SFn, SFn+, and SFn-, for n = 1-6. The geometries and vibrational frequencies are determined at the B3LYP level of theory. The energetics are determined at the CCSD(T ) level of theory. Extrapolation to the basis set limit is discussed. The temperature dependence of the heat of formation, heat capacity, an d entropy are computed for the temperature range 300-4000 K and fit to a polynomial.