2019
DOI: 10.1016/j.molstruc.2019.03.062
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Preparation and characterization of ethane-1,2-diaminium trinitromethanide as a novel energetic ionic liquid

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Cited by 9 publications
(3 citation statements)
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“…Increasing the diversity of ionic liquid structures resulted in the adoption of new rules for labelling them, with reference to the special (dedicated) functional group that characterizes them, to the original features of a given salt-or regarding their use, e.g., as sweet [45], energetic [46], chiral [47], fluorescent [48], polymeric [49], magnetic [50] and many others. On the other hand, the possible methods of the structural combination of ionic liquids focusing on expanding their structure with The most common cationic parts include imidazolium (im, e.g., C 1 C 2 im, emim, EMIM: 1-ethyl-3-methylimidazolium), ammonium (N x x x x , e.g., N 1 8 8 8 : methyl(trioctyl)ammonium), pyridinium (py, e.g., C 6 py: 1-hexylpyridinium), phosphonium (P x x x , e.g., P 4 4 4 12 : tributyl(dodecyl)phosphonium), sulfonium (S x x x ), pyrrolidinium (pyrr), piperidinium (pip), morpholinium (morph), etc.…”
Section: Classification and Application Of Ilsmentioning
confidence: 99%
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“…Increasing the diversity of ionic liquid structures resulted in the adoption of new rules for labelling them, with reference to the special (dedicated) functional group that characterizes them, to the original features of a given salt-or regarding their use, e.g., as sweet [45], energetic [46], chiral [47], fluorescent [48], polymeric [49], magnetic [50] and many others. On the other hand, the possible methods of the structural combination of ionic liquids focusing on expanding their structure with The most common cationic parts include imidazolium (im, e.g., C 1 C 2 im, emim, EMIM: 1-ethyl-3-methylimidazolium), ammonium (N x x x x , e.g., N 1 8 8 8 : methyl(trioctyl)ammonium), pyridinium (py, e.g., C 6 py: 1-hexylpyridinium), phosphonium (P x x x , e.g., P 4 4 4 12 : tributyl(dodecyl)phosphonium), sulfonium (S x x x ), pyrrolidinium (pyrr), piperidinium (pip), morpholinium (morph), etc.…”
Section: Classification and Application Of Ilsmentioning
confidence: 99%
“…Increasing the diversity of ionic liquid structures resulted in the adoption of new rules for labelling them, with reference to the special (dedicated) functional group that characterizes them, to the original features of a given salt—or regarding their use, e.g., as sweet [ 45 ], energetic [ 46 ], chiral [ 47 ], fluorescent [ 48 ], polymeric [ 49 ], magnetic [ 50 ] and many others. On the other hand, the possible methods of the structural combination of ionic liquids focusing on expanding their structure with specific components resulted in the introduction of another term, namely task-specific ionic liquids (TSILs).…”
Section: Classification and Application Of Ilsmentioning
confidence: 99%
“…Notably, they are used in ab initio molecular dynamics simulations of ionic liquids to account for electron correlation and charge transfer between ions. , These functionals as well as BP86 have been shown to improve greatly with the addition of empirical dispersion corrections, and their reduced cost gives them priority over higher-level functionals if they produce accurate geometries, especially moving toward a larger number of ion pairs . A meta-GGA functional, M06-2X, a hybrid functional, B3LYP, and a long-range corrected functional, ωB97X-D, are extremely popular functionals and have been used extensively for optimizations of ionic liquids in the literature. The meta-GGA functional with D3 correction TPSS-D3 has been shown to perform well for single ion-paired systems …”
Section: Theoretical Calculationsmentioning
confidence: 99%