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- W2052214557 abstract "N,N-dimethyl-1-adamantamine-hydrogen fluoride is not a tertiary ammonium salt. It is a highly crystalline molecular complex whose infrared spectrum demonstrates the presence of covalent type three-center N–H–F bonds. The compound is obtained from ethanol–water solution, and FT-NMR spectra indicate that it is stable in aqueous solution. An ab initio molecular orbital study of this and potentially similar tertiary amine–hydrogen fluoride complexes suggests a value of about −18 kcal mol−1 for the formation of N–H–F bond, and in addition predicts that secondary C–H⋯F hydrogens bonding by β-hydrogens of the amine may be present in such compounds." @default.
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- W2052214557 date "2000-04-01" @default.
- W2052214557 modified "2023-09-27" @default.
- W2052214557 title "Hydrogen bonding. Part 73. IR, NMR, and ab initio molecular orbital study of N,N-dimethyl-1-adamantamine-hydrogen fluoride, a crystalline, H2O stable compound with a three-center N–H–F bond" @default.
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- W2052214557 doi "https://doi.org/10.1016/s0022-2860(99)00344-0" @default.
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