Interview with Leonid Bulavin

Zhyganiuk, I.V.; Malomuzh, M.P.

doi:10.15407/ujpe60.08.0687

Cited by 3 publications

(15 citation statements)

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“…The presented estimations of the magnitudes of the electrostatic interaction and hydrogen bond contributions to the energy of intermolecular interaction were confirmed many times in works [3][4][5][6][7]. In particular, it was shown in work [5] that, by order of magnitude,…”

Section: Discussion Of the Results Obtainedsupporting

confidence: 61%

“…The facts indicated above substantiate the application of a number of model electrostatic potentials proposed or described in works [3,[9][10][11][12][13][14][15][16]. Those potentials allow one to explain the thermodynamic and the majority of kinetic properties of water, as well as many other systems.…”

Section: Introductionmentioning

confidence: 52%

“…This fact clearly testifies in favor of water molecule models with fixed invariant positions of model charges, because the distances between the centers of charges in the water molecule did not change even under the action of an electric field with a high strength that occurred near the Li + ion. The facts indicated above substantiate the application of a number of model electrostatic potentials proposed or described in works [3,[9][10][11][12][13][14][15][16]. Those potentials allow one to explain the thermodynamic and the majority of kinetic properties of water, as well as many other systems.…”

Section: Introductionmentioning

confidence: 52%

“…Our conclusions are based on the results obtained for the temperature dependences of the self-diffusion and kinematic shear viscosity coefficients, specific volume, evaporation heat [22], and heat capacity of water [17,23,24]. In addition, we analyze the frequency shift for valence hydrogens in the water molecule [25] and the variation of its dipole moment under the action of environmental molecules [3].…”

Section: Introductionmentioning

confidence: 97%

“…Malenkov during oral discussions on the hydrogen bond problem. Later, it was shown in works [2][3][4][5][6][7] that the deformation of electron shells in water molecules forming a hydrogen bond is a small quantity and generates an irreducible contribution to the energy of interaction between molecules. It is this contribution that should be called the hydrogen bond.…”

Section: Introductionmentioning

confidence: 99%

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Physical Nature of Hydrogen Bond

Zhyganiuk

Malomuzh

2015

Ukr. J. Phys.

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PHYSICAL NATURE OF HYDROGEN BOND PACS 82.30.RsThe 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.K e y w o r d s: hydrogen valence vibrations of a water molecule, frequency shift, hydrogen bond, electrostatic origin.The hydrogen bond is a phlogiston of the 20-th century. L. BULAVIN

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Section: Discussion Of the Results Obtainedsupporting

confidence: 61%

Section: Introductionmentioning

confidence: 52%

Section: Introductionmentioning

confidence: 52%

Section: Introductionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

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Physical Nature of Hydrogen Bond

Zhyganiuk

Malomuzh

2015

Ukr. J. Phys.

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Nature of the Frequency Shift of Hydrogen Valence Vibrations in Water Molecules

Zhyganiuk

Malomuzh

2014

Ukr. J. Phys.

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The physical nature of a frequency shift of hydrogen valence vibrations in a water molecule due to its interaction with neighbor molecules has been studied. Electrostatic forces connected with the multipole moments of molecules are supposed to give a dominating contribution to the intermolecular interaction. The frequency shift was calculated in the case where two neighbor molecules form a dimer. The obtained result is in qualitative agreement with the frequency shifts observed for water vapor, hexagonal ice, and liquid water, as well as for aqueous solutions of alcohols. This fact testifies to the electrostatic nature of H-bonds used to describe both the specific features of the intermolecular interaction in water and the macroscopic properties of the latter. K e y w o r d s: frequency shift, hydrogen valence vibrations, electrostatic models of water molecule, dimer.

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Dimerization of Water Molecules. Modeling of the Attractive Part of the Interparticle Potential in the Multipole Approximation

Makhlaichuk,

Malomuzh,

Zhyganiuk

2013

Preprint

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The work presents the detailed analysis of the water dimer properties. Their parameters are investigated on the basis of a multipole interaction potential extended up to the quadrupolequadrupole and dipole-octupole terms. All main equilibrium parameters of the dimer are obtained: its geometry, ground-state energy, dipole and quadrupole moments, vibration frequencies, etc. They are thoroughly compared with those obtained in quantum chemical calculations and from spectroscopic data. The efficiency of the present model potentials is discussed. A new viewpoint on the nature of the hydrogen bond is presented. The results of studies are thoroughly compared with the spectroscopic and computer simulation data. K e y w o r d s: water dimer, multipole interaction potential, dipole moment, quadrupole moment, hydrogen bond

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Interview with Leonid Bulavin

Cited by 3 publications

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Physical Nature of Hydrogen Bond

Physical Nature of Hydrogen Bond

Nature of the Frequency Shift of Hydrogen Valence Vibrations in Water Molecules

Dimerization of Water Molecules. Modeling of the Attractive Part of the Interparticle Potential in the Multipole Approximation

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