Effect of the hydrogen bridge geometry on the vibrational spectra of water: Two-parameter H-bonding potentials

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

“…Anomalous properties of water are determined by a continuous 3D network of H-bonds between the neighboring molecules [1,2]. 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].…”