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VIBRATIONAL SPECTRA OF WATER: ROLE OF EXTREMUMS IN THE ENERGY OF HYDROGEN BONDS O–H…O AND IN THE DEGENERACY OF THEIR GEOMETRIC STATES

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Abstract

It is shown that the analysis of half-deuterated water (HOD) spectra has advantages over the analysis of ordinary H2O spectra when studying their relationship with structural characteristics of liquid. Mechanisms of IR and Raman band formation by OH oscillators (responsible for the differences between these two types of spectral bands) are considered. The effects of H-bond energy extremums and the degeneracy of H-bond geometric states are discussed along with the reasons of these extremums.

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  1. Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    Yu. Ya. Efimov

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  1. Yu. Ya. Efimov
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Russian Text © The Author(s), 2021, published in Zhurnal Strukturnoi Khimii, 2021, Vol. 62, No. 11, pp. 1844-1851.https://doi.org/10.26902/JSC_id83808

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Efimov, Y.Y. VIBRATIONAL SPECTRA OF WATER: ROLE OF EXTREMUMS IN THE ENERGY OF HYDROGEN BONDS O–H…O AND IN THE DEGENERACY OF THEIR GEOMETRIC STATES. J Struct Chem 62, 1732–1739 (2021). https://doi.org/10.1134/S0022476621110093

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