Self-assembled energetic coordination polymers based on multidentate pentazole cyclo-N5−

Wang, Pengcheng; Xu, Yuangang; Wang, Qian; Shao, Yanli; Lin, Qiuhan; Lu, Ming

doi:10.1007/s40843-018-9268-0

Cited by 53 publications

(30 citation statements)

References 35 publications

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“…NaN 5 (100 mg, prepared as described elsewhere [27]) and Zn(NO 3 ) 2 • 6H 2 O (112 mg) were dispersed in deionized water (2 mL), and the solvent was removed by volatilization to afford Zn(N 5 ) 2 (60 mg, 35 %, white crystal) containing crystallization water. FT-IR (KBr pellet, v/cm À 1 ): 3262, 1664, 1236 (N 5 À ) (see Figure S1, Supporting documents).…”

Section: Preparation Of Metal Pentazolatesmentioning

confidence: 99%

Thermal Decomposition Kinetics of Potential Solid Propellant Combustion Catalysts Fe(II), Zn(II), Hydroxylammonium, and Hydrazinium Pentazolates

Lu²,

Lei³

et al. 2021

Propellants Explo Pyrotec

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Herein, we prepared Fe(II), Zn(II), hydroxylammonium, and hydrazinium pentazolates and investigated their thermal behavior, decomposition kinetics, and thermodynamic activation parameters. The thermolysis of metal and non‐metal salts featured three and two mass‐loss stages, respectively, with the decomposition of pentazolate anions occurring at 105–135 °C. Moreover, metal salts exhibited higher thermal safety than non‐metal salts under the same conditions. Iron and zinc pentazolates decomposed at lower temperatures than sodium pentazolate, i. e., Fe(II) and Zn(II) ions promoted the decomposition of pentazolate anions. The obtained results demonstrate that the prepared compounds hold great promise as energetic catalysts for solid propellant decomposition.

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Section: Preparation Of Metal Pentazolatesmentioning

confidence: 99%

Thermal Decomposition Kinetics of Potential Solid Propellant Combustion Catalysts Fe(II), Zn(II), Hydroxylammonium, and Hydrazinium Pentazolates

Lu²,

Lei³

et al. 2021

Propellants Explo Pyrotec

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“…It was detected first in gas phase and recently in solution . Significantly, cyclo ‐N 5 − was successfully stabilized and crystallographically characterized in the (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl salt form in 2017, and further captured by forming stable metal pentazolate hydrate complexes or in the three‐dimensional (3D) metal‐pentazolate frameworks . These fascinating theoretical and experimental achievements strongly demonstrated that cyclo ‐N 5 − is aromatic and completely accessible …”

Section: Introductionmentioning

confidence: 97%

Pentapnictogen heterocyclic monoanions: Structure, stability, and aromaticity

Chen

Yang

Liu

et al. 2019

Int J of Quantum Chemistry

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Inorganic planar ring‐shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five‐membered heterocycle monoanions X nY5‐n− (X, Y = group 15 elements; n = 1‐4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO‐LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five‐membered cyclic anions can be employed as η5‐ligand to construct novel all‐inorganic metallocenes, which may serve as the building blocks of low‐dimensional nanomaterials.

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“…finally achieved the ultimate goal of the stable existence of cylo‐N 5 − under solid phase and environmental conditions [7] . Then a series of metal‐N 5 − compounds were synthesized, such as [Na(H 2 O)(N 5 )] ⋅ 2H 2 O, [M(H 2 O) 4 (N 5 ) 2 ] ⋅ 4H 2 O (M=Mn, Fe, Co and Zn), [Mg(H 2 O) 6 (N 5 ) 2 ] ⋅ 4H 2 O, [Ag(N 5 )] n and so on [13–17] . However, the currently synthesized metal‐N 5 − compounds are limited in energy, and they cannot be directly used as high‐energy materials.…”

Section: Introductionmentioning

confidence: 99%

Syntheses and Characterization of two cyclo‐pentazolate salts

Wang

Dong

Yang

et al. 2021

Zeitschrift anorg allge chemie

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Two energetic salts of cyclo‐N5−, O‐methylisoure pentazolate (1) and guanidinoacetic acid pentazolate (2), were synthesized by metathesis reaction. All the energetic cyclo‐N5− salts were characterized by single‐crystal XRD, IR spectroscopy, 1H and 13C multinuclear NMR spectroscopy, thermal analysis (DSC) and elemental analysis. They exhibit good thermal stability with decomposition temperatures of more than 100 °C and they are in excellent agreement with those reported non‐metallic salts. Salt 1 also exhibits strong π‐π interactions. The standard enthalpies of formation and detonation performances of these salts were calculated using Gaussian 09 and EXPLO5 v6.01 programs. The detonation velocities of compound 1 and 2 are both about 7400 m s−1 and these two salts exhibit low mechanical sensitivity (IS>23 J, FS>220 N). Therefore, in this work, the synthesis of the new pentazolate salts enriches the cyclo‐pentazolate salts system, which is conducive to the exploration of more heat‐resistant and higher detonation velocities pentazolate salts.

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Self-assembled energetic coordination polymers based on multidentate pentazole cyclo-N5−

Cited by 53 publications

References 35 publications

Thermal Decomposition Kinetics of Potential Solid Propellant Combustion Catalysts Fe(II), Zn(II), Hydroxylammonium, and Hydrazinium Pentazolates

Thermal Decomposition Kinetics of Potential Solid Propellant Combustion Catalysts Fe(II), Zn(II), Hydroxylammonium, and Hydrazinium Pentazolates

Pentapnictogen heterocyclic monoanions: Structure, stability, and aromaticity

Syntheses and Characterization of two cyclo‐pentazolate salts

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