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Enhancing Intermolecular Interactions and Their Anisotropy to Build Low Impact Sensitivity Energetic Crystals

Abstract

Creating new energetic materials (EMs) with high energy and high safety (low sensitivity) is one of the most important objectives of the related field. Besides synthesizing new compounds, constructing new EMs by crystal engineering is currently deemed to be a breakthrough. In the present work, we reveal the underlying mechanism of observed impact sensitivity (IS) variations of the cocrystal series of diacetone diperoxide (DADP)/1,3,5-trichloro-2,4,6-trinitrobenzene (TCTNB), DADP/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB), and DADP/1,3,5-triiodo-2,4,6- trinitrobenzene (TITNB), in contrast to their pure components, from a viewpoint of their crystal packing structures. We find that, the remarkable IS improvement of DADP/TITNB is resulted from the increased intermolecular interactions and the enhanced anisotropy of these interactions, or the enhanced differentiation between intra- and interlayered interactions; the difficult measurement of the IS of DADP/TBTNB is stemmed from its thermodynamic instability (weakened intermolecular interactions); and DADP/TCTNB mediates IS between its two pure components, as it does little to improve the interactions and anisotropy. Thereby, enhancing intermolecular interactions and their anisotropy is proposed as strategy for building low impact sensitivity EMs in crystal engineering like cocrystallizaton.

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Publication details

The article was received on 19 Mar 2017, accepted on 15 May 2017 and first published on 15 May 2017


Article type: Paper
DOI: 10.1039/C7CE00529F
Citation: CrystEngComm, 2017, Accepted Manuscript
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    Enhancing Intermolecular Interactions and Their Anisotropy to Build Low Impact Sensitivity Energetic Crystals

    Y. Ma, L. Meng, H. Li and C. Zhang, CrystEngComm, 2017, Accepted Manuscript , DOI: 10.1039/C7CE00529F

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