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Determining the contributions of various types of intermolecular interactions to the translational vibrational frequencies of liquids, based on the cluster-continuum model

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Abstract

Based on the thermodynamic cluster-continuum model proposed earlier for identifying quasi-lattice translational vibrational frequencies of liquids, new information is obtained concerning the physicochemical mechanisms by which intermolecular interactions affect the formation of the indicated frequencies. In particular, this method is used to determine how intermolecular forces of dispersion, orientation-induction, and resonance nature contribute to the absorption-band frequencies of the long-wavelength IR spectra of a number of unassociated and associated liquids. The possibilities of the new approach are compared with the results of using for these purposes known algorithms based on the Onsager-Böttcher continuum model, as well as the effective-field dispersion method. © 2005 Optical Society of America

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