Crystal structure and explosive performance of a new CL-20/benzaldehyde cocrystal

Lingxiang Bao; Penghao Lv; Teng Fei; Yujia Liu; Chenghui Sun; Siping Pang

doi:10.1016/j.molstruc.2020.128267

Crystal structure and explosive performance of a new CL-20/benzaldehyde cocrystal

Lingxiang Bao, Penghao Lv, Teng Fei, Yujia Liu, Chenghui Sun^*, Siping Pang

^*Corresponding author for this work

School of Material Science and Engineering

Beijing Institute of Technology

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

33 Citations (Scopus)

Abstract

A new cocrystal of 2,4,6,8,10,12-hexanitrohexaazaiso-wurtzitane (CL-20) and benzaldehyde with a molar ratio of 1:2 was prepared by a slow solvent evaporation method. The crystal structure of the CL-20/benzaldehyde cocrystal characterized by single-crystal X-ray diffraction (SXRD) reveals that the cocrystal is formed by intermolecular hydrogen bond interactions and belongs to the triclinic system. Moreover, impact sensitivity and friction sensitivity tests of CL-20/benzaldehyde cocrystal were conducted to evaluate its security. The detonation velocity of the CL-20/benzaldehyde cocrystal is 7455 m/s, lower than that of CL-20 and similar to that of TNT.

Original language	English
Article number	128267
Journal	Journal of Molecular Structure
Volume	1215
DOIs	https://doi.org/10.1016/j.molstruc.2020.128267
Publication status	Published - 5 Sept 2020

Keywords

Benzaldehyde
CL-20
Cocrystal
Energetic materials
Sensitivity

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10.1016/j.molstruc.2020.128267

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title = "Crystal structure and explosive performance of a new CL-20/benzaldehyde cocrystal",

abstract = "A new cocrystal of 2,4,6,8,10,12-hexanitrohexaazaiso-wurtzitane (CL-20) and benzaldehyde with a molar ratio of 1:2 was prepared by a slow solvent evaporation method. The crystal structure of the CL-20/benzaldehyde cocrystal characterized by single-crystal X-ray diffraction (SXRD) reveals that the cocrystal is formed by intermolecular hydrogen bond interactions and belongs to the triclinic system. Moreover, impact sensitivity and friction sensitivity tests of CL-20/benzaldehyde cocrystal were conducted to evaluate its security. The detonation velocity of the CL-20/benzaldehyde cocrystal is 7455 m/s, lower than that of CL-20 and similar to that of TNT.",

keywords = "Benzaldehyde, CL-20, Cocrystal, Energetic materials, Sensitivity",

author = "Lingxiang Bao and Penghao Lv and Teng Fei and Yujia Liu and Chenghui Sun and Siping Pang",

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year = "2020",

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doi = "10.1016/j.molstruc.2020.128267",

language = "English",

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T1 - Crystal structure and explosive performance of a new CL-20/benzaldehyde cocrystal

AU - Bao, Lingxiang

AU - Lv, Penghao

AU - Fei, Teng

AU - Liu, Yujia

AU - Sun, Chenghui

AU - Pang, Siping

PY - 2020/9/5

Y1 - 2020/9/5

N2 - A new cocrystal of 2,4,6,8,10,12-hexanitrohexaazaiso-wurtzitane (CL-20) and benzaldehyde with a molar ratio of 1:2 was prepared by a slow solvent evaporation method. The crystal structure of the CL-20/benzaldehyde cocrystal characterized by single-crystal X-ray diffraction (SXRD) reveals that the cocrystal is formed by intermolecular hydrogen bond interactions and belongs to the triclinic system. Moreover, impact sensitivity and friction sensitivity tests of CL-20/benzaldehyde cocrystal were conducted to evaluate its security. The detonation velocity of the CL-20/benzaldehyde cocrystal is 7455 m/s, lower than that of CL-20 and similar to that of TNT.

AB - A new cocrystal of 2,4,6,8,10,12-hexanitrohexaazaiso-wurtzitane (CL-20) and benzaldehyde with a molar ratio of 1:2 was prepared by a slow solvent evaporation method. The crystal structure of the CL-20/benzaldehyde cocrystal characterized by single-crystal X-ray diffraction (SXRD) reveals that the cocrystal is formed by intermolecular hydrogen bond interactions and belongs to the triclinic system. Moreover, impact sensitivity and friction sensitivity tests of CL-20/benzaldehyde cocrystal were conducted to evaluate its security. The detonation velocity of the CL-20/benzaldehyde cocrystal is 7455 m/s, lower than that of CL-20 and similar to that of TNT.

KW - Benzaldehyde

KW - CL-20

KW - Cocrystal

KW - Energetic materials

KW - Sensitivity

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U2 - 10.1016/j.molstruc.2020.128267

DO - 10.1016/j.molstruc.2020.128267

M3 - Article

AN - SCOPUS:85083394022

SN - 0022-2860

VL - 1215

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

M1 - 128267

ER -

Crystal structure and explosive performance of a new CL-20/benzaldehyde cocrystal

Abstract

Keywords

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