synthesis and characterization of 5-nitro-2-nitratomethyl-1,2,3,4-tetrazole a high nitrogen energetic compound with good oxygen balance合成和表征5-nitro-2-nitratomethyl-1,2、3、4-tetrazole高氮高能化合物具有良好的氧平衡.pdf

Molecules 2012, 17, 5040-5049; doi:10.3390/molecule OPEN ACCESS molecules ISSN 1420-3049 /journal/molecules Communication Synthesis and Characterization of 5-Nitro-2-nitratomethyl- 1,2,3,4-tetrazole: A High Nitrogen Energetic Compound with Good Oxygen Balance Yuchuan Li 1, Wei Liu 1,2 and Siping Pang 1,* 1 School of Material Science Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China; E-Mails: yuchuanyh@ (Y.L.); liuwei1986825@ (W.L.) 2 School of Life Science, Beijing Institute of Technology, Beijing 100081, China * Author to whom correspondence should be addressed; E-Mail: pangsp@; Tel.: +86-010-6891-5822; Fax: +86-010-6891-3038. Received: 29 February 2012; in revised form: 18 April 2012 / Accepted: 20 April 2012 / Published: 3 May 2012 Abstract: The synthesis of 5-nitro-2-nitratomethyl-1,2,3,4-tetrazole (4) and its full characterization are given here. Compound 4 was synthesized through the nitration of 5-nitro-2-hydroxymethyl-tetrazole (3) with fuming nitric acid and acetic anhydride and its structure was characterized by MS, FT-IR, 1H-NMR and 13C-NMR techniques. The crystal structure of 4 was determined by X-ray single crystal diffraction analysis. The compound belongs to the orthorhombic system with space group Pna2(1), and its crystal parameters 3 were a = 2.121(8) nm, b = 0.5281(19) nm, c = 0.6246(2) nm, Z = 4, V =