THEORETICAL ANALYSIS OF INFRARED ABSORPTION LINESHAPES OF HCl ISOLATED IN AN ARGON MATRIX

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1983

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Ohio State University

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A microscopic dynamical treatment of chemical systems comprising both light particles that require a quantal description and heavy ones that may be described adequately by classical mechanics is briefly reviwed. A (partial) classical limit of Heisenbergs equations yields a self -consitent set of “hemiquantal’s” equations (HQE) of motion. The adibatic limit of the HQE,in which energy is not shared between high frequency modes of the classical subsystems, is applied to a one -dimensional model for infrared absorption by matrix -isolated impurities .The predictions of the model are consistent with recent experimental measurement on the ”Q” feature of HC isolated in Ar.

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Author Institution: Department of Chemistry, Purdue University

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