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A MODEL OF INTERMOLECULAR INTERACTION ASSOCIATED WITH HYDROGEN BOND FORMATION AND ITS APPLICATION TO THE CHARACTERIZATION OF THE SELECTIVITY OF CHROMATOGRAPHIC PHASES ON THE EXAMPLE OF POLYETHYLENE GLYCOLS

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Abstract

The proposed model of intermolecular interactions contains three independent groups of quantities describing non-polar forces, polar forces, and hydrogen bonds. The contribution of hydrogen bonding to the total energy of intermolecular interaction is represented as a product of some quantum-mechanical threshold value and the probability of molecular arrangement that makes this bonding possible. Two characteristics, “polarity” and “hydrophilicity”, distinguishing polar and non-polar species, are introduced. Along with the generalized charge, these characteristics are independent arguments of the three-parameter model for liquid phases used in chromatography. The model is applied to describe the interaction of polar molecules in the gas phase with liquid polyethylenee glycol (PEG). Theoretical dependences of PEG polarity and hydrophilicity on the polymer′s molecular mass are derived. The graph of these dependences plotted in “polarity–hydrophilicity” coordinates agrees well chromatography data for characteristics of PEGs used as stationary phases.

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Funding

The reported study was funded by RFBR, project number 18-03-00382а.

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

    A. M. Dolgonosov & E. A. Zaitсeva

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  1. A. M. Dolgonosov
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  2. E. A. Zaitсeva
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Correspondence to A. M. Dolgonosov.

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Dolgonosov, A.M., Zaitсeva, E.A. A MODEL OF INTERMOLECULAR INTERACTION ASSOCIATED WITH HYDROGEN BOND FORMATION AND ITS APPLICATION TO THE CHARACTERIZATION OF THE SELECTIVITY OF CHROMATOGRAPHIC PHASES ON THE EXAMPLE OF POLYETHYLENE GLYCOLS. J Struct Chem 61, 1233–1243 (2020). https://doi.org/10.1134/S0022476620080089

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