Nature of the Frequency Shift of Hydrogen Valence Vibrations in Water Molecules
Keywords:frequency shift, hydrogen valence vibrations, electrostatic models of water molecule, dimer
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.
D. Eisenberg and W. Kautzman, The Structure and Properties of Water (Oxford Univ. Press, Oxford, 1968).
F.H. Stillinger and C.W. David, J. Chem. Phys. 69, 1473 (1978).
J.-M. Andanson, J-C. Soetens, T. Tassaing, and M. Besnard, J. Chem. Phys. 122, 174512 (2005).
P. Golub, I. Doroshenko, and V. Pogorelov, Phys. Lett. A 378, 1937 (2014).
L.L. Shipman and H.A. Scheraga, J. Phys. Chem. 78, N 9, 909 (1974).
L.M. Babkov, G.A. Puchkovskaya, S.P. Makarenko, and T.A. Gavrilko, IR Spectroscopy of Molecular Crystals with Hydrogen Bonds (Naukova Dumka, Kyiv, 1989) (in Russian).
U. Buck and F. Huisken, Chem. Rev. 100, 3863 (2000).
S.-B. Zhu, S. Singh, and G. Wilse Robinson, J. Chem. Phys. 95, 2791 (1991).
V.Ya. Antonchenko, A.S. Davydov, and V.V. Ilyin, Fundamentals of Physics of Water (Naukova Dumka, Kyiv, 1991) (in Russian).
H.J.C. Berendsen and G.A. van der Velde, in Proceedings of the Workshop on Molecular Dynamics and Monte Carlo Calculations of Water, edited by H.J.C. Berendsen (CECAM, Orsay, 1972), p. 63.
P. Barnes, J.L. Finney, J.D. Nicholas, and J.E. Quinn, Nature 282, 459 (1979).
R.L. Fulton and P. Perhacs, J. Phys. Chem. A 102, 9001 (1998).
M.D. Dolgushin and V.M. Pinchuk, Preprint ITF-76-49P (Instutute of Theoretical Physics, Kyiv, 1976) (in Russian).
P.V. Makhlaichuk, M.P. Malomuzh, and I.V. Zhyganiuk, Ukr. Fiz. Zh. 57, 113 (2012).
G.C. Pimentel and A.L. McClellan, The Hydrogen Bond (W.H. Freeman, San Francisco, 1960).
J.O. Hirschfelder, Ch.F. Curtiss, and R.B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1967).
W.L. Jorgensen, J. Chandrasekhar, and J.D. Madura, J. Chem. Phys. 79, 926 (1983).
V.I. Poltev, T.I. Grokhlina, and G.G. Malenkov, J. Biomol. Struct. Dyn. 2, 413 (1984).
I.I. Adamenko, L.A. Bulavin, V. Ilyin, S.A. Zelensky, and K.O. Moroz, J. Mol. Liq. 127, 90 (2006).
L.A. Bulavin, A.I. Fisenko, and N.P. Malomuzh, Chem. Phys. Lett. 453, 183 (2008).
M. Rieth, Nano-Engineering in Science and Technology: An Introduction to the World of Nano-Design (World Scientific, Karlsruhe, 2003).
H. Berendsen, J. Postma, W. Van Gunsteren, and J. Hermans, in Intermolecular Forces, edited by B. Pullman (Reidel, Dordrecht, 1981), p. 331.
T. Urbic and M.F. Holovko, J. Chem. Phys. 135, 134706 (2011).
S.V. Lishchuk, N.P. Malomuzh, and P.V. Makhlaichuk, Phys. Lett. A 375, 2656 (2011).
R.O. Watts, Chem. Phys. 26, 367 (1977).
I.V. Zhyganiuk, Ukr. Fiz. Zh. 56, 225 (2011).
O. Matsuoka, E. Clementi, and M. Yoshimine, J. Chem. Phys. 64, 1351 (1976).
T.R. Dyke, K.M. Mack, and J.S. Muenter, J. Chem. Phys. 66, 498 (1977).
Yu. Jin and Sh.-i. Ikawa, J. Chem. Phys. 119, 12432 (2003).
How to Cite
License to Publish the Paper
The corresponding author and the co-authors (hereon referred to as the Author(s)) of the paper being submitted to the Ukrainian Journal of Physics (hereon referred to as the Paper) from one side and the Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, represented by its Director (hereon referred to as the Publisher) from the other side have come to the following Agreement:
1. Subject of the Agreement.
The Author(s) grant(s) the Publisher the free non-exclusive right to use the Paper (of scientific, technical, or any other content) according to the terms and conditions defined by this Agreement.
2. The ways of using the Paper.
2.1. The Author(s) grant(s) the Publisher the right to use the Paper as follows.
2.1.1. To publish the Paper in the Ukrainian Journal of Physics (hereon referred to as the Journal) in original language and translated into English (the copy of the Paper approved by the Author(s) and the Publisher and accepted for publication is a constitutive part of this License Agreement).
2.1.2. To edit, adapt, and correct the Paper by approval of the Author(s).
2.1.3. To translate the Paper in the case when the Paper is written in a language different from that adopted in the Journal.
2.2. If the Author(s) has(ve) an intent to use the Paper in any other way, e.g., to publish the translated version of the Paper (except for the case defined by Section 2.1.3 of this Agreement), to post the full Paper or any its part on the web, to publish the Paper in any other editions, to include the Paper or any its part in other collections, anthologies, encyclopaedias, etc., the Author(s) should get a written permission from the Publisher.
3. License territory.
The Author(s) grant(s) the Publisher the right to use the Paper as regulated by sections 2.1.1–2.1.3 of this Agreement on the territory of Ukraine and to distribute the Paper as indispensable part of the Journal on the territory of Ukraine and other countries by means of subscription, sales, and free transfer to a third party.
4.1. This Agreement is valid starting from the date of signature and acts for the entire period of the existence of the Journal.
5.1. The Author(s) warrant(s) the Publisher that:
– he/she is the true author (co-author) of the Paper;
– copyright on the Paper was not transferred to any other party;
– the Paper has never been published before and will not be published in any other media before it is published by the Publisher (see also section 2.2);
– the Author(s) do(es) not violate any intellectual property right of other parties. If the Paper includes some materials of other parties, except for citations whose length is regulated by the scientific, informational, or critical character of the Paper, the use of such materials is in compliance with the regulations of the international law and the law of Ukraine.
6. Requisites and signatures of the Parties.
Publisher: Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine.
Address: Ukraine, Kyiv, Metrolohichna Str. 14-b.
Author: Electronic signature on behalf and with endorsement of all co-authors.