Effect of argon environment on small water clusters in matrix isolation

Abstract

The influence of cryogenic argon environment on small water clusters was investigated by quantum-chemical simulation of structure and vibrational spectra of water clusters consisting of different numbers of molecules. Comparison of calculation results for vacuum and argon environment shows a red shift of spectral bands in argon. Obtained IR frequencies and intensities for water clusters in argon are compared with experimentally registered FTIR spectra of water trapped in a low-temperature argon matrix.