Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1262, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2022.133099
Keywords
Energetic salts; Triazolium; Experimental properties; Theoretical research
Categories
Funding
- National Natural Science Foundation of China [21876120]
- Fundamental Research Funds for the Central Universities [20826041D4117]
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Nitrogen-rich TATT cation derivatives combined with different anions were synthesized and characterized, with positive heats of formation demonstrated by both theoretical and experimental methods. Sensitivities to impact and friction were also determined.
The energetic derivatives of nitrogen-rich 3,4,5-triamino-1-tetrazolyl-1,2,4-triazolium (TATT) cation combined with nitrate (1), chloride (2) and perchlorate (3) anions were synthesized from the reaction of 3,4,5-triamino-1-tetrazolyl-1,2,4-triazole with various acids. All salts were characterized by IR, NMR and elemental analysis. Their structures were verified by single-crystal X-ray diffraction. Salt 1 crystallizes in the monoclinic system P21/c. Salt 2 and 3 crystallize in the triclinic system P-1. Both theoretical and experimental methods demonstrate these compounds having positive heats of formation. Their sensitivities to impact and friction were also determined. (C) 2022 Elsevier B.V. All rights reserved.
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