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Ukr. J. Phys. 2015, Vol. 60, N 9, p.960-974
doi:10.15407/ujpe60.09.0960    Paper

Zhyganiuk I.V.1, Malomuzh M.P.2

1 Institute of Environmental Geochemistry, Nat. Acad. of Sci. of Ukraine
(34a, Palladin Ave., Kyiv 03680, Ukraine; e-mail: zhyganiuk@gmail.com)
2 I.I. Mechnikov National University of Odessa
(2, Dvoryans’ka Str., Odessa 65026, Ukraine)

Physical Nature of Hydrogen Bond

Section: General Problems of Theoretical Physics
Original Author's Text: Ukrainian

Abstract: The physical nature and the correct definition of hydrogen bond (H-bond) are considered. The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed. The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is incompatible with the behavior of the specific volume, evaporation heat, and self-diffusion and kinematic shear viscosity coefficients of water. On the other hand, it is shown that the variation of the dipole moment of a water molecule and the frequency shift of valence vibrations of a hydroxyl group can be totally explained in the framework of the electrostatic model of H-bond. At the same time, the temperature dependences of the heat capacity of water in the liquid and vapor states clearly testify to the existence of weak H-bonds. The analysis of a water dimer shows that the contribution of weak H-bonds to its ground state energy is approximately 4–5 times lower in comparison with the energy of electrostatic interaction between water molecules. A conclusion is made that H-bonds have the same nature in all other cases where they occur.

Key words: hydrogen valence vibrations of a water molecule, frequency shift, hydrogen bond, electrostatic origin.