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• W2085476998 startingPage "8645" @default.
• W2085476998 abstract "We have probed under high pressure the C–H hydrogen bonds formed by N,N′-disubstituted imidazolium ions having PF6− and Br− counterions. High-pressure infrared spectral profiles, x-ray crystallographic analysis, and ab initio calculations allow us to make a vibrational assignment of these compounds. The appearance of a signal for the free-NH unit (or weakly bonded N–H⋯F unit) in the infrared spectrum of the PF6− salt indicates that conventional N–H⋯O and N–H⋯N hydrogen bonds do not fully dominate the packing. It is likely that the charge-enhanced C2–H⋯F interactions, combined with other weak hydrogen bonds, disturb the formation of N–H hydrogen bonds in the PF6− salt. This finding is consistent with the pressure-dependent results, which reveal that the C2–H⋯F interaction is enhanced upon increasing the pressure. In contrast to the PF6− salt, the imidazolium C–H bonds of the Br− salt have low sensitivity to high pressure. This finding suggests that the hydrogen bonding patterns are determined by the relative hydrogen bond acceptor strengths of the Br− and PF6− ions." @default.
• W2085476998 created "2016-06-24" @default.
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• W2085476998 date "2004-04-20" @default.
• W2085476998 modified "2023-09-23" @default.
• W2085476998 title "Probing C–H⋯X hydrogen bonds in amide-functionalized imidazolium salts under high pressure" @default.
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• W2085476998 doi "https://doi.org/10.1063/1.1697380" @default.
• W2085476998 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15267793" @default.
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