Fluctuation theory of hydrogen bonding in liquids. Structure, spectral bandshapes and temperature dependence
- 1 January 1988
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions of the Chemical Society
- Vol. 85, 117-123
- https://doi.org/10.1039/dc9888500117
Abstract
The assumption of the existence in liquids of the continual distribution of configurations and energies of hydrogen bonds leading to the distribution of frequencies of OH oscillators perturbed by them allows one to construct a complete theory of stretching OH vibration bandshapes. The theory describes the temperature behaviour of the contour of uncoupled oscillators (HOD diluted in D2O) in terms of two temperature-independent functions and allows the spectra of coupled oscillators (in H2O or D2O) to be calculated. The theory is in fair agreement with experiment for water and supports the continuum model of water structure.Keywords
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