Theoretical study of vibrational spectra for Cl−(H2O): temperature dependence and the influence of Arn (n=1–3)

Vibrational spectra for Cl−(H2O) in the OH stretching region were studied theoretically. The theoretical results are compared with the experimental results from two groups. They are in closer agreement with one of the reported spectra. By adiabatically separating the intermolecular and intramolecular modes, the potential surfaces for the intermolecular modes are drawn with and without the excitation of the OH stretching mode. The contributions from the hot bands are examined by solving the 2-dimensional vibrational nuclear Schrödinger equation. The argon clusters attached to Cl−(H2O) as a spectator contribute the downward shift of the ionic hydrogen-bonded OH stretching frequency.