Accurate heats of formation for PHn, PHn+, and PHn−

Accurate heats of formation are computed for PHn and PHn+, for n=1–3, and for PHn−, for n=1–2. The geometries and vibrational frequencies are determined at the B3LYP level of theory. The energetics are determined at the CCSD(T) level of theory. Basis set limit values are obtained by extrapolation. Spin–orbit effects are taken from experiment. The temperature dependence of the heat of formation, heat capacity, and entropy are computed for the temperature range 300 to 4000 K and fit to a polynomial.