Effect of argon environment on small water clusters in matrix isolation
A. Vasylieva, I. Doroshenko, Olena Doroshenko, V. Pogorelov
Abstract
A. Vasylieva, I. Doroshenko, Olena Doroshenko, V. Pogorelov
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.
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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.
Key concepts: Argon, Matrix isolation, Materials science, Spectral line, Molecule, Matrix (chemical analysis), Infrared spectroscopy, Fourier transform infrared spectroscopy