Design and Synthesis of Hydrolytically Stable N-Nitrourea Explosives

Kejian Cui; Zhibin Xu; Guangrui Xu; Zihui Meng; Wenjin Liu; Xinpeng Shi; Yudong Xu; Jiarong Li; Zhihui Lin

doi:10.1002/prep.201500092

Design and Synthesis of Hydrolytically Stable N-Nitrourea Explosives

Kejian Cui, Zhibin Xu, Guangrui Xu, Zihui Meng, Wenjin Liu, Xinpeng Shi, Yudong Xu, Jiarong Li, Zhihui Lin

School of Chemistry and Chemical Engineering

Beijing Institute of Technology

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

1 Citation (Scopus)

Abstract

A series of high energy density compounds (HEDCs) based on N-nitrourea were designed and their theoretical performances were calculated using the Gaussian programs. The predicted values of the energy density of these compounds are in the range 1.848-1.93 g cm^-3, and their calculated VODs are in the range 6700-8305 m s^-1. Tetranitrodiglycoluril (TNDGU) (1) and tetranitrotriglycoluril (TNTGU) (2) were synthesized and characterized by NMR (¹H, ¹³C) and IR spectroscopy as well as elemental analyses. The structure of the aminolysis product (7) of TNDGU was further confirmed by single-crystal X-ray diffraction, which indicated that the structure belongs to P2₁/c space group in the monoclinic system.

Original language	English
Pages (from-to)	908-913
Number of pages	6
Journal	Propellants, Explosives, Pyrotechnics
Volume	40
Issue number	6
DOIs	https://doi.org/10.1002/prep.201500092
Publication status	Published - 1 Dec 2015

Keywords

Explosive
Hydrolytically stable
N-Nitrourea
Synthesis

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10.1002/prep.201500092

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title = "Design and Synthesis of Hydrolytically Stable N-Nitrourea Explosives",

abstract = "A series of high energy density compounds (HEDCs) based on N-nitrourea were designed and their theoretical performances were calculated using the Gaussian programs. The predicted values of the energy density of these compounds are in the range 1.848-1.93 g cm-3, and their calculated VODs are in the range 6700-8305 m s-1. Tetranitrodiglycoluril (TNDGU) (1) and tetranitrotriglycoluril (TNTGU) (2) were synthesized and characterized by NMR (1H, 13C) and IR spectroscopy as well as elemental analyses. The structure of the aminolysis product (7) of TNDGU was further confirmed by single-crystal X-ray diffraction, which indicated that the structure belongs to P21/c space group in the monoclinic system.",

keywords = "Explosive, Hydrolytically stable, N-Nitrourea, Synthesis",

author = "Kejian Cui and Zhibin Xu and Guangrui Xu and Zihui Meng and Wenjin Liu and Xinpeng Shi and Yudong Xu and Jiarong Li and Zhihui Lin",

note = "Publisher Copyright: {\textcopyright} 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.",

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doi = "10.1002/prep.201500092",

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T1 - Design and Synthesis of Hydrolytically Stable N-Nitrourea Explosives

AU - Cui, Kejian

AU - Xu, Zhibin

AU - Xu, Guangrui

AU - Meng, Zihui

AU - Liu, Wenjin

AU - Shi, Xinpeng

AU - Xu, Yudong

AU - Li, Jiarong

AU - Lin, Zhihui

PY - 2015/12/1

Y1 - 2015/12/1

N2 - A series of high energy density compounds (HEDCs) based on N-nitrourea were designed and their theoretical performances were calculated using the Gaussian programs. The predicted values of the energy density of these compounds are in the range 1.848-1.93 g cm-3, and their calculated VODs are in the range 6700-8305 m s-1. Tetranitrodiglycoluril (TNDGU) (1) and tetranitrotriglycoluril (TNTGU) (2) were synthesized and characterized by NMR (1H, 13C) and IR spectroscopy as well as elemental analyses. The structure of the aminolysis product (7) of TNDGU was further confirmed by single-crystal X-ray diffraction, which indicated that the structure belongs to P21/c space group in the monoclinic system.

AB - A series of high energy density compounds (HEDCs) based on N-nitrourea were designed and their theoretical performances were calculated using the Gaussian programs. The predicted values of the energy density of these compounds are in the range 1.848-1.93 g cm-3, and their calculated VODs are in the range 6700-8305 m s-1. Tetranitrodiglycoluril (TNDGU) (1) and tetranitrotriglycoluril (TNTGU) (2) were synthesized and characterized by NMR (1H, 13C) and IR spectroscopy as well as elemental analyses. The structure of the aminolysis product (7) of TNDGU was further confirmed by single-crystal X-ray diffraction, which indicated that the structure belongs to P21/c space group in the monoclinic system.

KW - Explosive

KW - Hydrolytically stable

KW - N-Nitrourea

KW - Synthesis

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U2 - 10.1002/prep.201500092

DO - 10.1002/prep.201500092

M3 - Article

AN - SCOPUS:84956979036

SN - 0721-3115

VL - 40

SP - 908

EP - 913

JO - Propellants, Explosives, Pyrotechnics

JF - Propellants, Explosives, Pyrotechnics

IS - 6

ER -

Design and Synthesis of Hydrolytically Stable N-Nitrourea Explosives

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Keywords

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