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Understanding Hydrogen Bonding in Terms of the Theory of Generalized Charges

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Abstract

New expressions for the energy and the length of interatomic bonds depending on atomic number, bond order, and angular momentum are derived within the theory of generalized charges, which is an asymptotic approximation for interatomic forces in the quantum-statistical model of a multicomponent electron gas. In particular, expressions for bond energies and bond lengths in hydrides are derived as functions of atomic numbers. As a consequence of the developed theory, hydrogen bonding is viewed as a one-electron covalent bonding, which is used to derive corresponding quantitative relations. The energy of hydrogen bonding cannot be lower than some specific value determined by the charge of the bonded atom. The region of existence of hydrogen bonding is established. The boundaries of the region are determined by the classes of substances distinguished by their ability to form hydrogen bonding. Quantitative estimations are used to explain the ability or inability of substances containing electronegative atoms to dissolve in water.

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Funding

This work was supported by the Russian Foundation for Basic Research (grant No. 18-03-00382a).

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Authors and Affiliations

  1. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, Russia

    A. M. Dolgonosov

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  1. A. M. Dolgonosov
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Correspondence to A. M. Dolgonosov.

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Russian Text © The Author(s), 2019, published in Zhurnal Strukturnoi Khimii, 2019, Vol. 60, No. 11, pp. 1765–1774.

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Dolgonosov, A.M. Understanding Hydrogen Bonding in Terms of the Theory of Generalized Charges. J Struct Chem 60, 1693–1702 (2019). https://doi.org/10.1134/S0022476619110015

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  • DOI: https://doi.org/10.1134/S0022476619110015

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