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Tytuł artykułu

Preparation and Characterization of 1-(5-Azido-1H-1,2,4-triazol-3-yl)tetrazole

Treść / Zawartość
Identyfikatory
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
This study presents the preparation of 1-(5-azido-1H-1,2,4-triazol-3yl)tetrazole (5) from commercially available chemicals in a five step synthesis. The energetic title compound was comprehensively characterized by various means, including vibrational (IR, Raman) and multinuclear (1H, 13C, 14N, 15N) NMR spectroscopy, mass spectrometry and differential scanning calorimetry. The sensitivities towards various outer stimuli (impact, friction) were determined according to BAM standards. The enthalpy of formation was calculated at the CBS-4M level of theory.
Słowa kluczowe
Rocznik
Strony
403--416
Opis fizyczny
Bibliogr. 22 poz., rys., tab.
Twórcy
autor
  • Department of Chemistry, Ludwig-Maximilian University of Munich, Butenandstr. 5-13 (D), 81377 Munich, Germany
  • Department of Chemistry, Ludwig-Maximilian University of Munich, Butenandstr. 5-13 (D), 81377 Munich, Germany
Bibliografia
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  • [14] a) Ochterski J.W., Petersson G.A., Montgomery J.A., A Complete Basis Set Model Chemistry. V. Extensions to Six or More Heavy Atoms, J. Chem. Phys., 1996, 104, 2598-2619; b) Montgomery J.A., Frisch M.J., Ochterski J.W., Petersson G.A., A Complete Basis Set Model Chemistry. VII. Use of the Minimum Population Localization Method, J. Chem. Phys., 2000, 112, 6532-6542.
  • [15] a) Rice B.M., Pai S.V., Hare J., Predicting Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations, Combust. Flame, 1999, 118, 445-458; b) Rice B.M., Hare J.J., A Quantum Mechanical Investigation of the Relation between Impact Sensitivity and the Charge Distribution in Energetic Molecules, J. Phys. Chem. A, 2002, 106, 1770-1783; c) Byrd E.F.C., Rice B.M., Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations, J. Phys. Chem. A, 2006, 110, 1005-1013.
  • [16] a) NIST Standard Reference Database Number 69, (Linstrom P.J., Mallard W.G., Eds.), http://webbook.nist.gov/chemistry (accessed December 31, 2012); b) Cox J.D., Wagman D.D., Medvedev V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984.
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  • [18] a) Huber S., Izsák D., Karaghiosoff K., Klapötke T.M., Reuter S., Energetic Salts of 5-(5-Azido-1H-1,2,4-triazol-3-yl)tetrazole, Propellants Explos. Pyrotech., 2014, 39, 793-801; b) Izsák D., Klapötke T.M., Reuter S., Salts of 5-(5-Azido-1H-1,2,4-triazol-3-yl)tetrazol-1-ol: From Highly Sensitive Primary Explosives to Insensitive Nitrogen-Rich Salts, Eur. J. Inorg. Chem., 2013, 2013, 5641-5651.
  • [19] Izsák D., Klapötke T.M., Reuter S., Rösener T., Silver Salt and Derivatives of 5-Azido-1H-1,2,4-triazole-3-carbonitrile, Z. Anorg. Allg. Chem., 2013, 639, 899-905.
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Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-12bf6499-d0e1-4dc2-8fda-5fda6c20147d
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