Supporting information for: Thermal Phase Behavior and Ion Hopping in 1,2,4-Triazolium Perfluorobutanesulfonate Protic Organic Ionic Plastic Crystal
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چکیده
منابع مشابه
Triazolium-based energetic ionic liquids.
The energetic ionic liquids formed by the 1,2,4-triazolium cation family and dinitramide anion are investigated by ab initio quantum chemistry calculations, to address the following questions: How does substitution at the triazolium ring's nitrogen atoms affect its heat of formation, and its charge delocalization? What kind of ion dimer structures might exist? And, do deprotonation reactions oc...
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Depending on the reaction conditions, N,N',N''-tris(benzylamino)guanidinium salts can react with carboxylic acid chlorides to form either symmetrical N,N',N''-tris(N-acyl-N-benzylamido)guanidines 6 or mesoionic 4-amino-1,2,4-triazolium-3-hydrazinides 7. The latter were converted into 1,2,4-triazolium salts by protonation or methylation at the hydrazinide nitrogen atom. Neutral 1,2,4-triazoles 1...
متن کاملCrystal and Molecular Structure of 1,2,4-Triazolium Chloride and its Salt with Antimony Trichloride - Bis(1,2,4-triazolium) pentachloroantimonate(III)-1,2,4-triazolium Chloride
The structures of 1,2,4-triazolium chloride (C2H4N3)Cl and its derivative with antimony trichloride (C2H4N3)2[SbCl5] ÿ (C2H4N3)Cl containing unsubstituted 1,2,4-triazolium cations were determined. (C2H4N3)Cl crystallizes in the monoclinic system, space group P21/n with the unit cell dimensions at 86 K: a = 9.425(2), b = 8.557(2), c = 11.158(2) Å, þ = 95.87(3); V = 895.2(3) Å3,Z= 8,dc = 1.566,dm...
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Bis(1,4-diamino-1,2,4-triazolium) sulfate (1) was obtained from the corresponding chloride by ion metathesis using Ag2SO4. Further metathesis with barium 5,51-azotetrazolate yielded bis(1,4-diamino-1,2,4-triazolium) 5,51-azotetrazolate (2). Numerous NH ̈ ̈ ̈N and NH ̈ ̈ ̈O interactions were identified in the crystal structures of 1 and 2. Both compounds undergo exothermal decomposition upon heating.
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Different crystal phase with a same chemical structure, polymorphous, is a specific physical characteristic which determine the end usage of pigments especially in high performance ones. Diketopyrrolopyrrole DPP derivatives, as one of the innovative in heterocyclic pigments, follow this pattern. Synthesis of pigment red 254 in selected crystal phase using ionic liquids was achieved without any ...
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