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Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties

In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK(2)(DNAT)(2)·4H(2)O [M = Fe, Cu, Ni, Co, and Zn], were designed and synthesized in a simple and convenient self-assembly synthetic process. The obtained compounds were fully charact...

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Autores principales: Li, Yanan, Yu, Tao, Zhang, Yiying, Hu, Jianjian, Chen, Tao, Wang, Yinglei, Xu, Kangzhen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6803599/
https://www.ncbi.nlm.nih.gov/pubmed/31681726
http://dx.doi.org/10.3389/fchem.2019.00672
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author Li, Yanan
Yu, Tao
Zhang, Yiying
Hu, Jianjian
Chen, Tao
Wang, Yinglei
Xu, Kangzhen
author_facet Li, Yanan
Yu, Tao
Zhang, Yiying
Hu, Jianjian
Chen, Tao
Wang, Yinglei
Xu, Kangzhen
author_sort Li, Yanan
collection PubMed
description In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK(2)(DNAT)(2)·4H(2)O [M = Fe, Cu, Ni, Co, and Zn], were designed and synthesized in a simple and convenient self-assembly synthetic process. The obtained compounds were fully characterized by IR spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structures of target compounds were confirmed by single-crystal X-ray diffraction. Based on the room-temperature X-ray densities (2.095–2.138 g cm(−3)) and the calculated (CBS–QB3) heats of formation (−41.3 to 170.5 kJ mol(−1)), the detonation properties such as detonation velocities (8,147.0–8,478.4 m s(−1)) and detonation pressures (29.7–32.8 GPa) were computed using the EXPLO5 v6.04 program. Their excellent energetic properties indicated that they could serve as promising “green” primary explosives for replacement of lead azide (LA).
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spelling pubmed-68035992019-11-03 Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties Li, Yanan Yu, Tao Zhang, Yiying Hu, Jianjian Chen, Tao Wang, Yinglei Xu, Kangzhen Front Chem Chemistry In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK(2)(DNAT)(2)·4H(2)O [M = Fe, Cu, Ni, Co, and Zn], were designed and synthesized in a simple and convenient self-assembly synthetic process. The obtained compounds were fully characterized by IR spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structures of target compounds were confirmed by single-crystal X-ray diffraction. Based on the room-temperature X-ray densities (2.095–2.138 g cm(−3)) and the calculated (CBS–QB3) heats of formation (−41.3 to 170.5 kJ mol(−1)), the detonation properties such as detonation velocities (8,147.0–8,478.4 m s(−1)) and detonation pressures (29.7–32.8 GPa) were computed using the EXPLO5 v6.04 program. Their excellent energetic properties indicated that they could serve as promising “green” primary explosives for replacement of lead azide (LA). Frontiers Media S.A. 2019-10-15 /pmc/articles/PMC6803599/ /pubmed/31681726 http://dx.doi.org/10.3389/fchem.2019.00672 Text en Copyright © 2019 Li, Yu, Zhang, Hu, Chen, Wang and Xu. http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Chemistry
Li, Yanan
Yu, Tao
Zhang, Yiying
Hu, Jianjian
Chen, Tao
Wang, Yinglei
Xu, Kangzhen
Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
title Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
title_full Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
title_fullStr Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
title_full_unstemmed Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
title_short Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
title_sort novel energetic coordination polymers based on 1,5-di(nitramino)tetrazole with high oxygen content and outstanding properties: syntheses, crystal structures, and detonation properties
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6803599/
https://www.ncbi.nlm.nih.gov/pubmed/31681726
http://dx.doi.org/10.3389/fchem.2019.00672
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