1,3,4,5-Tetraamino-1,2,4-triazolium Cation: An Energetic Moiety

被引：15

作者：

Yocca, Sebastian R. ^{[1
,2
,3
]}

Yount, Joseph ^{[2
,3
]}

Zeller, Matthias ^{[4
]}

Byrd, Edward F. C. ^{[5
]}

Piercey, Davin G. ^{[2
,3
,6
]}

机构：

[1] Purdue Univ, Dept Chem Engn, W Lafayette, IN 47906 USA

[2] Purdue Univ, Dept Mat Engn, W Lafayette, IN 47906 USA

[3] Purdue Univ, Purdue Energet Res Ctr, W Lafayette, IN 47906 USA

[4] Purdue Univ, Dept Chem, W Lafayette, IN 47906 USA

[5] CCDC US Army Res Lab, Detonat Sci & Modeling Branch, Aberdeen Proving Ground, MD 21005 USA

[6] Purdue Univ, Dept Mech Engn, W Lafayette, IN 47906 USA

来源：

INORGANIC CHEMISTRY | 2021年 / 60卷 / 13期

基金：

美国国家科学基金会;

关键词：

MOLECULAR-ORBITAL METHODS; DENSITY; DESIGN; HEATS;

D O I：

10.1021/acs.inorgchem.1c00877

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The amination of 3,4,5-triamino-1,2,4-triazole with O-tosylhydroxylamine yielded the nitrogen-rich 1,3,4,5-tetraamino-1,2,4-triazolium cation as its tosylate salt. Subsequent metathesis reactions produced energetic salts with various energetic anions, including perchlorate, nitrate, nitrotetrazolate, and bistetrazolate diolate. All energetic salts possess relatively high heats of formation, thermal sensitivities, and detonation velocities and pressures. The prepared energetic salts were characterized chemically using single-crystal X-ray crystallography, elemental analysis, and H-1 NMR, C-13 NMR, and IR spectroscopy and energetically by measuring their thermal, impact, and friction sensitivities. N-15 NMR was carried out on the tosylate salt. Energetic performances were determined by a combined experimental-computational method using calculated heats of formation and experimental crystal densities.

引用

页码：9645 / 9652

页数：8

共 50 条

[1] Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate
Kumasaki, Mieko
Gontani, Saori
Mori, Kanae
Matsumoto, Shinya
Inoue, Kazuki
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2021, 77 : 197 - +
[2] Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
Klapoetke, Thomas M.
Schmid, Philipp. C.
Schnell, Simon
Stierstorfer, Joerg
JOURNAL OF MATERIALS CHEMISTRY A, 2015, 3 (06) : 2658 - 2668
[3] Two polymorphs of 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium dinitroformate and their energetic properties
Xu, Yuangang
Lu, Ming
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
[4] 1,2,4-triazolium picrate
Jin, Chuan-Ming
Wu, Ling-Yan
Chen, Cai-Yuan
Hu, Sheng-Li
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 : O4515 - O4516
[5] 1,2,4-Triazolium bromide
Sieron, Leslaw
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O904 - O905
[6] Cation-cation, π-π stacking in small ionic clusters of 1,2,4-triazolium
Li, Hui
Boatz, Jerry A.
Gordon, Mark S.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (02) : 392 - +
[7] Cation-cation π-π stacking in small ionic clusters of 1,2,4-triazolium
Li, Hui
Boatz, Jerry A.
Gordon, Mark S.
Journal of the American Chemical Society, 2008, 130 (02): : 392 - 393
[8] Synthesis and characterization of 3,4,5-Triamino-1,2,4-triazolium and 1-Methyl-3,4,5-triamino-1,2,4-triazolium iodides
Darwich, Chaza
Karaghiosoff, Konstantin
Klapoetke, Thomas M.
Sabate, Carles Miro
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2008, 634 (01): : 61 - 68
[9] Synthesis of 1,2,4-triazolium 4N-nitroimides by the nitration of 1-substituted 4-amino-1,2,4-triazolium nitrates
Shitov, OP
Korolev, VL
Tartakovsky, VA
RUSSIAN CHEMICAL BULLETIN, 2002, 51 (03) : 499 - 502
[10] Synthesis of 1,2,4-triazolium 4N-nitroimides by the nitration of 1-substituted 4-amino-1,2,4-triazolium nitrates
O. P. Shitov
V. L. Korolev
V. A. Tartakovsky
Russian Chemical Bulletin, 2002, 51 : 499 - 502

← 1 2 3 4 5 →