Computational investigation of the weakly bound dimers HOX...SO(3) (X = F, Cl, Br).


The electronic structure and thermochemical stability of the HOX-SO(3) (X = F, Cl, Br) complexes is studied using second-order Møller-Plesset perturbation theory (MP2). The calculated dissociation energies of the HOF-SO(3), HOCl-SO(3), and HOBr-SO(3) complexes are 5.43, 6.02, and 5.98 kcal mol(-1) at MP2/6-311++G(3df,3pd) level, respectively. Anharmonic OH… (More)