Mutual Weakening of Hydrogen Bonds Between Hydrogen Fluoride and Proton Donors |
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Authors: | S I Kargov E G Tarakanova and G V Yukhnevich |
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Institution: | (1) N. S. Kurnakov Institute of General and, Inorganic Chemistry, Russian Academy of Sciences, Moscow |
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Abstract: | The mutual effect of hydrogen bonds in B HF (HHal)
n
complexes (Hal = F, Cl, Br, I; B = –, CH3CN, NH3; n = 1-3) was examined using the self-consistent field ab initio approach (6-31++G(d,p) and ECP-HW). When two and three equivalent H bonds are formed from the lone electron pairs of the fluorine atom of the HF molecule, the mutual weakening effect is 17% and 28%, respectively. The coefficients of the mutual effects of hydrogen bonds in HF (HHal)2 and H2O (HHal)2 bridges are close in magnitude. |
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Keywords: | hydrogen fluoride hydrogen bond mutual effects of H bonds |
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