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, MK2(DNAT)2·4H2O [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...
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Autor*in:	Yanan Li [verfasserIn] Tao Yu [verfasserIn] Yiying Zhang [verfasserIn] Jianjian Hu [verfasserIn] Tao Chen [verfasserIn] Yinglei Wang [verfasserIn] Kangzhen Xu [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2019

Schlagwörter:	primary explosive bimetallic energetic coordination synthesis crystal structure property

Übergeordnetes Werk:	In: Frontiers in Chemistry - Frontiers Media S.A., 2014, 7(2019)
Übergeordnetes Werk:	volume:7 ; year:2019

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3389/fchem.2019.00672

Katalog-ID:	DOAJ017017327

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spelling	10.3389/fchem.2019.00672 doi (DE-627)DOAJ017017327 (DE-599)DOAJd2a9893861664bdc8211611702fdb774 DE-627 ger DE-627 rakwb eng QD1-999 Yanan Li verfasserin aut Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [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). primary explosive bimetallic energetic coordination synthesis crystal structure property Chemistry Tao Yu verfasserin aut Tao Yu verfasserin aut Yiying Zhang verfasserin aut Jianjian Hu verfasserin aut Tao Chen verfasserin aut Yinglei Wang verfasserin aut Kangzhen Xu verfasserin aut In Frontiers in Chemistry Frontiers Media S.A., 2014 7(2019) (DE-627)742224538 (DE-600)2711776-5 22962646 nnns volume:7 year:2019 https://doi.org/10.3389/fchem.2019.00672 kostenfrei https://doaj.org/article/d2a9893861664bdc8211611702fdb774 kostenfrei https://www.frontiersin.org/article/10.3389/fchem.2019.00672/full kostenfrei https://doaj.org/toc/2296-2646 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 7 2019
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allfieldsGer	10.3389/fchem.2019.00672 doi (DE-627)DOAJ017017327 (DE-599)DOAJd2a9893861664bdc8211611702fdb774 DE-627 ger DE-627 rakwb eng QD1-999 Yanan Li verfasserin aut Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [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). primary explosive bimetallic energetic coordination synthesis crystal structure property Chemistry Tao Yu verfasserin aut Tao Yu verfasserin aut Yiying Zhang verfasserin aut Jianjian Hu verfasserin aut Tao Chen verfasserin aut Yinglei Wang verfasserin aut Kangzhen Xu verfasserin aut In Frontiers in Chemistry Frontiers Media S.A., 2014 7(2019) (DE-627)742224538 (DE-600)2711776-5 22962646 nnns volume:7 year:2019 https://doi.org/10.3389/fchem.2019.00672 kostenfrei https://doaj.org/article/d2a9893861664bdc8211611702fdb774 kostenfrei https://www.frontiersin.org/article/10.3389/fchem.2019.00672/full kostenfrei https://doaj.org/toc/2296-2646 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 7 2019
allfieldsSound	10.3389/fchem.2019.00672 doi (DE-627)DOAJ017017327 (DE-599)DOAJd2a9893861664bdc8211611702fdb774 DE-627 ger DE-627 rakwb eng QD1-999 Yanan Li verfasserin aut Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [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). primary explosive bimetallic energetic coordination synthesis crystal structure property Chemistry Tao Yu verfasserin aut Tao Yu verfasserin aut Yiying Zhang verfasserin aut Jianjian Hu verfasserin aut Tao Chen verfasserin aut Yinglei Wang verfasserin aut Kangzhen Xu verfasserin aut In Frontiers in Chemistry Frontiers Media S.A., 2014 7(2019) (DE-627)742224538 (DE-600)2711776-5 22962646 nnns volume:7 year:2019 https://doi.org/10.3389/fchem.2019.00672 kostenfrei https://doaj.org/article/d2a9893861664bdc8211611702fdb774 kostenfrei https://www.frontiersin.org/article/10.3389/fchem.2019.00672/full kostenfrei https://doaj.org/toc/2296-2646 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 7 2019
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source	In Frontiers in Chemistry 7(2019) volume:7 year:2019
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topic_facet	primary explosive bimetallic energetic coordination synthesis crystal structure property Chemistry
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container_title	Frontiers in Chemistry
authorswithroles_txt_mv	Yanan Li @@aut@@ Tao Yu @@aut@@ Yiying Zhang @@aut@@ Jianjian Hu @@aut@@ Tao Chen @@aut@@ Yinglei Wang @@aut@@ Kangzhen Xu @@aut@@
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callnumber-first	Q - Science
author	Yanan Li
spellingShingle	Yanan Li misc QD1-999 misc primary explosive misc bimetallic energetic coordination misc synthesis misc crystal structure misc property misc Chemistry Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
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topic_title	QD1-999 Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties primary explosive bimetallic energetic coordination synthesis crystal structure property
topic	misc QD1-999 misc primary explosive misc bimetallic energetic coordination misc synthesis misc crystal structure misc property misc Chemistry
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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
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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
author_sort	Yanan Li
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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
callnumber	QD1-999
title_auth	Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties
abstract	In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [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).
abstractGer	In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [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).
abstract_unstemmed	In this study, a series of novel 1,5-di(nitramino)tetrazole (DNAT)-based bimetallic energetic coordination polymers, MK2(DNAT)2·4H2O [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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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
url	https://doi.org/10.3389/fchem.2019.00672 https://doaj.org/article/d2a9893861664bdc8211611702fdb774 https://www.frontiersin.org/article/10.3389/fchem.2019.00672/full https://doaj.org/toc/2296-2646
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up_date	2024-07-03T23:59:22.595Z
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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

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