Abstract
Abstract Raman and IR absorption spectra of 2-biphenylmethanol crystals, have been measured in the wide frequency region 80–3600 and 300–3600 cm −1 , respectively, at room temperature. The calculations of the normal vibration frequencies and forms, shifts of the atoms, and distribution of the potential energy, as well as distribution of the intensity in the IR absorption spectra have been carried out. The interpretation of the experimental IR and Raman spectra is presented. The computer simulation of the IR absorption spectra for most probable molecular conformers of 2-biphenylmethanol molecule, using the program ‘LEV-100’ was performed. Based on an analysis of the simulation results and their comparison with those experimentally observed, one of the most probable model of molecular conformer for the crystalline phase was proposed.
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