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Mutual Weakening of Hydrogen Bonds Formed by a Water Molecule with Two Proton Donors

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Abstract

Based on results of ab initio (6−31G and ECP) calculations, new data on the mutual effect of hydrogen bonds in (HHal)n · H2O · ((CH3)2O)m (n = 0, 1, 2; m = 0, 1, 2) aquacomplexes have been obtained. It is shown that the H‐bonds formed by the lone electrons of the oxygen atom of the water molecule (by ∼ 20%) weaken each other significantly. The enthalpy of formation of HOH...O(CH3)2 bonds depends on which and how many halogen hydride molecules are bound with the water molecule via its lone electrons. But the ratio of the strengths of the HOH...O(CH3)2 bonds formed by the fragment (HHal)n · H2O (n = 0, 1, 2) with one and with two molecules of dimethyl ether remains virtually constant (∼ 10%).

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Authors and Affiliations

  1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow

    E. G. Tarakanova, O. Yu. Tsoi & G. V. Yukhnevich

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  1. E. G. Tarakanova
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  2. O. Yu. Tsoi
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  3. G. V. Yukhnevich
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Tarakanova, E.G., Tsoi, O.Y. & Yukhnevich, G.V. Mutual Weakening of Hydrogen Bonds Formed by a Water Molecule with Two Proton Donors. Journal of Structural Chemistry 43, 750–756 (2002). https://doi.org/10.1023/A:1022860804657

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