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- W2101029076 abstract "The density functional method and DNP basis set were employed to study 1-pair, 2-pair, and 3-pair of cation–anion interactions of 1-propyl-4,5-dibromo-3-methylimidazolium bromides. The calculated results reveal that H2 atoms of 1-propyl-4,5-dibromo-3-methylimidazolium form hydrogen bondings with Br−. The natural bond orbital (NBO) and atoms in molecules (AIM) analyzes show that halogen bondings between Br− anion and imidazolium ring substituted bromine atoms were formed in the gas phase, in agreement with the crystal phase of 1-propyl-4,5-dibromo-3-methylimidazolium bromide which is governed by both hydrogen bondings and halogen bondings." @default.
- W2101029076 created "2016-06-24" @default.
- W2101029076 creator A5056427095 @default.
- W2101029076 creator A5072805393 @default.
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- W2101029076 date "2011-03-01" @default.
- W2101029076 modified "2023-09-25" @default.
- W2101029076 title "Density functional study on ionic liquid of 1-propyl-4,5-dibromo-3-methylimidazolium bromide" @default.
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- W2101029076 doi "https://doi.org/10.1016/j.cplett.2011.02.027" @default.
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