Mutual Weakening of Hydrogen Bonds Between Hydrogen Fluoride and Proton Donors |
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| Authors: | S. I. Kargov E. G. Tarakanova G. V. Yukhnevich |
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| Affiliation: | (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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