Stabilization of the Pentazolate Anion in Three Anhydrous and Metal-Free Energetic Salts

Chemistry, an Asian Journal
Yuangang XuMing Lu

Abstract

According to previous reports, metal cations or water molecules are necessary for the stabilization of pentazolate anion (cyclo-N5- ) at ambient temperature and pressure. Seeking a new method to stabilize N5- is a big challenge. In this work, three anhydrous, metal-free energetic salts based on cyclo-N5- 3,9-diamino-6,7-dihydro-5 H-bis([1,2,4]triazolo)[4,3-e:3',4'-g][1,2,4,5] tetrazepine-2,10-diium, N-carbamoylguanidinium, and oxalohydrazinium (oxahy+ ) pentazolate were synthesized and isolated. All salts were characterized by elemental analysis, IR spectroscopy, 1 H, 13 C, and (in some cases) 15 N NMR spectroscopy, thermal analysis (TGA and DSC), and single-crystal XRD analysis. Computational studies associated with heats of formation and detonation performance were performed by using Gaussian 09 and Explo5 programs, respectively. The sensitivity of the salts towards impact and friction was determined, and overall the real N5 explosives showed promising energetic properties.

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Citations

Jan 19, 2019·Chemical Communications : Chem Comm·Xiao-Xu BoYi-Hong Ding
Jul 10, 2019·Chemistry, an Asian Journal·Lili TianMing Lu
Jun 13, 2018·Royal Society Open Science·Tao YuGan Ren
Apr 17, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Hao-Ran WangXue-Hai Ju
May 23, 2020·Advanced Science·Shijie LiuBingbing Liu
Dec 29, 2020·Chemistry : a European Journal·Thomas CritonEmmanuel Lacôte
Jun 17, 2020·Chemical Reviews·Owen T O'Sullivan, Michael J Zdilla
Nov 6, 2018·The Journal of Physical Chemistry Letters·Wei ChenAnmin Zheng
Jun 3, 2020·Inorganic Chemistry·Zhao LiuTian Cui
Nov 12, 2021·The Journal of Organic Chemistry·Han-Lin DengMu-Hua Huang

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