Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials

Yuji Liu; Jiaheng Zhang; Kangcai Wang; Jinshan Li; Qinghua Zhang; Jean'ne M. Shreeve

doi:10.1002/anie.201606378

Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials

Yuji Liu, Jiaheng Zhang, Kangcai Wang, Jinshan Li, Qinghua Zhang, Jean'ne M. Shreeve

Research output: Contribution to journal › Article › peer-review

79 Scopus citations

Abstract

Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (v_D: 9541 m s⁻¹; P: 40.5 GPa), and 4 (v_D: 9256 m s⁻¹; P: 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (v_D: 8724 m s⁻¹; P: 35.2 GPa) and HMX (v_D: 9059 m s⁻¹; P: 39.2 GPa).

Original language	English
Pages (from-to)	11548-11551
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	55
Issue number	38
DOIs	https://doi.org/10.1002/anie.201606378
State	Published - 12 Sep 2016
Externally published	Yes

Keywords

computational chemistry
energetic materials
heats of formation
heterocycles
structure elucidation

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title = "Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials",

abstract = "Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (vD: 9541 m s−1; P: 40.5 GPa), and 4 (vD: 9256 m s−1; P: 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (vD: 8724 m s−1; P: 35.2 GPa) and HMX (vD: 9059 m s−1; P: 39.2 GPa).",

keywords = "computational chemistry, energetic materials, heats of formation, heterocycles, structure elucidation",

author = "Yuji Liu and Jiaheng Zhang and Kangcai Wang and Jinshan Li and Qinghua Zhang and Shreeve, {Jean'ne M.}",

note = "Publisher Copyright: {\textcopyright} 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim",

year = "2016",

month = sep,

day = "12",

doi = "10.1002/anie.201606378",

language = "英语",

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T1 - Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives

T2 - 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials

AU - Liu, Yuji

AU - Zhang, Jiaheng

AU - Wang, Kangcai

AU - Li, Jinshan

AU - Zhang, Qinghua

AU - Shreeve, Jean'ne M.

PY - 2016/9/12

Y1 - 2016/9/12

N2 - Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (vD: 9541 m s−1; P: 40.5 GPa), and 4 (vD: 9256 m s−1; P: 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (vD: 8724 m s−1; P: 35.2 GPa) and HMX (vD: 9059 m s−1; P: 39.2 GPa).

AB - Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (vD: 9541 m s−1; P: 40.5 GPa), and 4 (vD: 9256 m s−1; P: 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (vD: 8724 m s−1; P: 35.2 GPa) and HMX (vD: 9059 m s−1; P: 39.2 GPa).

KW - computational chemistry

KW - energetic materials

KW - heats of formation

KW - heterocycles

KW - structure elucidation

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U2 - 10.1002/anie.201606378

DO - 10.1002/anie.201606378

M3 - 文章

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SN - 1433-7851

VL - 55

SP - 11548

EP - 11551

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 38

ER -

Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials

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Keywords

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