Matrix isolation study of the formation of methanol cluster structures in the spectral region of C–O and O–H stretch vibrations

Abstract

Infrared absorption spectra of methyl alcohol isolated in an argon matrix are recorded experimentally. The transformation of the structure of the spectral bands with rising matrix temperature is analyzed in the spectral region of the C–O and O–H stretch deformation vibrations (1000–1100 and 3000–3800 cm−1). The experimental data are interpreted using quantum-chemical modelling of an optimal spatial structure and of the vibrational spectra of different nano-sized methyl alcohol clusters. The structure of the clusters changes gradually as the temperature of the argon matrix is raised from 10 to 50 K.