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A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi- coordination sites, high oxygen content and detonation performance: Syntheses, structures, and performance

Abstract

In this study, 3,6-Bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine (H2BNOD), with a relatively high oxygen content (37.41%) and good detonation performance (density = 1.817 g/cm3, detonation velocity = 8490 m/s), is used to prepare three new high-energy coordination polymers (CPs), {Ag2(BNOD)(DMF)2}n (1), {Ag2(BNOD)}n (1a), {Cu(BNOD)(H2O)6}n (2), and a metal salt, Co(BNOD)(H2O)6 (3). Crystal structure analyses indicated that 1 exhibits 2D energetic coordination polymer (E-CP) with a three-dimensional wavy layer structure; (1a) exhibits compact 3D E-CP without any solvent molecules. 2 exhibits a zigzag 1D chain structure, while the ionic salt 3 is a layer-by-layer structure (0D). Thermal analysis indicated that 1 and 1a exhibit good, as well as similar, thermostability (200 degree celsius) owing to their compact framework structures. The enthalpy of formation is calculated from constant-volume combustion energy. The four compounds exhibit detonation velocities (D) ranging from 7141 to 10084 m/s, detonation pressures (P) ranging from 25.10 to 58.04 GPa, and heat of detonation (Q) values from 1.11-1.91 kcal/g. The impact sensitivities of the energetic salts were between 5 and 12 J, and their friction sensitivities ranged from 120 to 180 N, at the same level with RDX and HMX. Among these four compounds, 1a exhibits outstanding performance (D = 10084 m/s, P = 58.04 GPa and Q = 1.91 kcal/g) with an compact 3D CP structure.

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Publication details

The article was received on 23 Jun 2017, accepted on 09 Aug 2017 and first published on 09 Aug 2017


Article type: Paper
DOI: 10.1039/C7TA05479C
Citation: J. Mater. Chem. A, 2017, Accepted Manuscript
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    A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi- coordination sites, high oxygen content and detonation performance: Syntheses, structures, and performance

    C. Shen, Y. Xu and M. Lu, J. Mater. Chem. A, 2017, Accepted Manuscript , DOI: 10.1039/C7TA05479C

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