Journal of Physical Chemistry A, Vol.105, No.5, 905-912, 2001
An ab initio and Raman investigation of sulfate ion hydration
The Raman spectra of ammonium sulfate solution are measured. The geometries, energies, and vibrational frequencies of various isomers of SO42- (H2O)(n), n = 0-6 are calculated at various levels up to MP2/6-31+G*. These properties are studied as a function of increasing cluster size. The experimental and theoretical vibrational spectra are compared.