Pregled bibliografske jedinice broj: 701210
Zwitterionic explosives based on 4, 6-dinitrobenzotriazol-3-ium-1-oxide
Zwitterionic explosives based on 4, 6-dinitrobenzotriazol-3-ium-1-oxide // Proceedings of the17th Seminar on New Trends in Research of Energetic Materials / Pachman, Jiri ; Šelešovsky, Jakub ; Matyaš, Robert (ur.).
Pardubice: University of Pardubice, 2014. str. 754-768 (poster, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni)
CROSBI ID: 701210 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Zwitterionic explosives based on 4, 6-dinitrobenzotriazol-3-ium-1-oxide
Autori
Klapotke, Thomas ; Pfluger, Carolin ; Sućeska, Muhamed
Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni
Izvornik
Proceedings of the17th Seminar on New Trends in Research of Energetic Materials
/ Pachman, Jiri ; Šelešovsky, Jakub ; Matyaš, Robert - Pardubice : University of Pardubice, 2014, 754-768
ISBN
978-80-7395-770-4
Skup
17th Seminar on New Trends in Research of Energetic Materials
Mjesto i datum
Pardubice, Češka Republika, 09.04.2014. - 11.04.2014
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
N-oxide; amination; secondary explosives; energetic performance; crystal structure
Sažetak
The energetic properties of the zwitterionic 4, 6-dinitrobenzotriazol-3-ium-1-oxide and its nitramine 1-(4, 6-dinitrobenzotriazol-3-ium-1-oxide-3-yl)-2-nitrazapropane were investigated. 7-Amino-4, 6-dinitrobenzotriazol-3-ium-1-oxide and 5, 7-di-amino-4, 6-dinitrobenzotriazol-3-ium-1-oxide were obtained by direct amination using vicarious nucleophilic substitution (VNS) methodology. The observed amination pattern was analyzed by quantum-chemical calculations of the distributions of the electron spin densities in the corresponding radical anions. The zwitterionic structures of 4, 6-dinitrobenzotriazol-3-ium-1-oxide, its nitramine and 7-amino-4, 6-dinitrobenzotriazol-3-ium-1-oxide were confirmed by single crystal X-ray diffraction. All presented compounds were characterized by multinuclear magnetic resonance spectroscopy (1H, 13C{;1H};, 14N{;1H};), vibrational analysis (IR and Raman), mass spectrometry and elemental analysis. Their thermal stabilities were studied by using differential scanning calorimetry and detonation parameters were calculated using the EXPLO5 computer code based on CBS-4M computed enthalpies of formation. The influence of the Noxide moiety on the energetic properties, especially the sensitivities, is evaluated by comparison with the corresponding derivatives of 5, 7-dinitrobenzotriazole.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
