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Efimov, Yu. Ya.

doi:10.1023/a:1015232301014

Cited by 8 publications

(1 citation statement)

References 13 publications

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“…The diversity of local environments of their OH groups creates different geometries of hydrogen bridges O-H…O and different energies of corresponding H-bonds [3]. As a result, H 2 O molecules in liquid no more have the C 2ν symmetry that they adopt in the gas or in the ice; therefore, describing water spectra in terms of symmetric and antisymmetric vibrations is not appropriate in this case [4]. A more accurate approach operates with inphase and antiphase mixed vibrations when the wave functions of two OH oscillators have either equal or opposite signs and different amplitudes.…”

Section: Introductionmentioning

confidence: 99%

Vibrational Spectra of Water: Role of Extremums in the Energy of Hydrogen Bonds O–h…o and in the Degeneracy of Their Geometric States

Efimov

2021

J Struct Chem

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It is shown that the analysis of half-deuterated water (HOD) spectra has advantages over the analysis of ordinary H 2 O 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 Hbond geometric states are discussed along with the reasons of these extremums.

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Section: Introductionmentioning

confidence: 99%