Molecular geometries and vibrational spectra of SnCl4−n(OH)n

Abstract We present calculated equilibrium geometries and vibrational spectra for SnCl 4− n (OH) n , n =0,1,…4. We also predicted energies of reaction for successive replacement of chlorine atoms with OH groups, and we found all reactions to be slightly endothermic. We obtained these results using ab initio Hartree–Fock theory with electron correlation in a series of approximations; for SnCl 4 , we obtain good agreement with experiment.