{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T07:21:58Z","timestamp":1775892118431,"version":"3.50.1"},"reference-count":49,"publisher":"MDPI AG","issue":"20","license":[{"start":{"date-parts":[[2022,10,17]],"date-time":"2022-10-17T00:00:00Z","timestamp":1665964800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100012190","name":"Ministry of Science and Higher Education of the Russian Federation","doi-asserted-by":"publisher","award":["075-15-2020-803"],"award-info":[{"award-number":["075-15-2020-803"]}],"id":[{"id":"10.13039\/501100012190","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>This paper presents the data of research studies on the mechanisms, kinetics and thermodynamics of decomposition of three high-energy compounds: [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine-3,6-diamine (TTDA), 3-amino-6-hydrazino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (TTGA) and 3,6-dinitroamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (DNTT). The points of change of the reaction mechanisms under thermal effects with different intensities from 0.1 to 2000 s\u22121 have been established. The values of activation and induction energies for the limiting stages of decomposition have been obtained. The formation of nanostructured carbon nitride (\u03b1-C3N4) in condensed decomposition products, cyanogen (C2N2) and hydrogen cyanide (HCN) in gaseous products have been shown. Concentration-energy diagrams for the reaction products have been compiled. The parameters of heat resistance and thermal safety proved to be: 349.5 \u00b0C and 358.2 \u00b0C for TTDA; 190.3 \u00b0C and 198.0 \u00b0C for TTGA; 113.4 \u00b0C and 114.1 \u00b0C for DNTT. The energy and thermodynamic properties have also been estimated. This work found the activation energy of the decomposition process to be 129.0 kJ\/mol for TTDA, 212.2 kJ\/mol for TTGA and 292.2 kJ\/mol for DNTT. The average induction energy of the catalytic process (Ecat) for TTGA was established to be 21 kJ\/mol, and for DNTT-1500\u20131700 kJ\/mol. The induction energy of the inhibition process (Eing) of TTDA was estimated to be 800\u20131400 kJ\/mol.<\/jats:p>","DOI":"10.3390\/molecules27206966","type":"journal-article","created":{"date-parts":[[2022,10,18]],"date-time":"2022-10-18T00:31:01Z","timestamp":1666053061000},"page":"6966","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-b][1,2,4,5]tetrazine"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8294-3608","authenticated-orcid":false,"given":"Aleksandr V.","family":"Stankevich","sequence":"first","affiliation":[{"name":"I.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22\/20, 620108 Ekaterinburg, Russia"},{"name":"Russian Federal Nuclear Center, All-Russian Research Institute of Technical Physics (RFNC-VNIITF), Vasilieva Street 13, 456770 Snezhinsk, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Svetlana G.","family":"Tolshchina","sequence":"additional","affiliation":[{"name":"I.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22\/20, 620108 Ekaterinburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Anna V.","family":"Korotina","sequence":"additional","affiliation":[{"name":"I.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22\/20, 620108 Ekaterinburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gennady L.","family":"Rusinov","sequence":"additional","affiliation":[{"name":"I.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22\/20, 620108 Ekaterinburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Irina V.","family":"Chemagina","sequence":"additional","affiliation":[{"name":"Russian Federal Nuclear Center, All-Russian Research Institute of Technical Physics (RFNC-VNIITF), Vasilieva Street 13, 456770 Snezhinsk, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9140-358X","authenticated-orcid":false,"given":"Valery N.","family":"Charushin","sequence":"additional","affiliation":[{"name":"I.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22\/20, 620108 Ekaterinburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2022,10,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Luo, Y., Zheng, W., Wang, X., and Shen, F. (2022). Nitrification Progress of Nitrogen-Rich Heterocyclic Energetic Compounds: A Review. Molecules, 27.","DOI":"10.3390\/molecules27051465"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"4193","DOI":"10.1039\/C9TA12704F","article-title":"Fused heterocycle-based energetic materials (2012\u20132019)","volume":"8","author":"Gao","year":"2020","journal-title":"J. Mater. Chem. A"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"10150","DOI":"10.1039\/D1NJ01227D","article-title":"Modern trends in \u201cGreen\u201d primary energetic materials","volume":"45","author":"Herweyer","year":"2021","journal-title":"New J. 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