CHINESE JOURNAL OF ENERGETIC MATERIALS
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含能晶体中分子间相互作用的特点及其启示
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中国工程物理研究院化工材料研究所, 四川 绵阳 621999

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国家自然科学基金(21875227;21673210)


Characteristics and Enlightenment from the Intermolecular Interactions in Energetic Crystals
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Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), Mianyang 621999, China

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    摘要:

    分子是含能晶体“大厦”中的“砖”,分子间相互作用就是这些“砖”间的“粘合剂”。因此,分子间相互作用是认知与设计含能晶体的出发点和基础。本文评述了含能晶体中分子间氢键、卤键和π-π堆积作用及其对分子堆积模式、撞击感度与热安定性的影响。含能晶体中分子间相互作用通常表现出的特点和启示如下: (1) 低感高能晶体有比高感高能晶体更强的氢键作用; (2) 面-面π-π堆积是最有效的造就低撞击感度的分子堆积模式; (3) 增强分子间相互作用及其各向异性是一项重要的改善撞击感度的晶体工程策略; (4) 一味地增强分子间氢键可能导致晶体的热安定性变差。此外,分子间相互作用的准确描述与热力作用下的演化规律是今后研究的重点。

    Abstract:

    If the molecules in an energetic crystal are regarded as the bricks of the crystal building, the intermolecular interactions will be the adhesive among the bricks. Thus, the intermolecular interactions are one of directions and bases for understanding and designing energetic crystal. This article reviews the intermolecular hydrogen bonding, halogen bonding and π-π stacking in energetic crystals, and their influences on molecular stacking pattern, impact sensitivity and thermal stability. Some characteristics and enlightenment from the intermolecular interactions can be summarized as follows: (1) the hydrogen bonding in low impact sensitive crystals is stronger than that in highly sensitive ones; (2) the face-to-face π-π stacking is prone to low impact sensitivity; (3) it serves as one of the crystal engineering strategies to enhance intermolecular interactions and their anisotropy to reduce impact sensitivity; and (4) it will worsen thermal stability when the intermolecular hydrogen bonding is blindly strengthened. Besides, we should focus upon the accurate description of intermolecular interactions and their evolution rules against thermomechanical stimuli.

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引用本文

张朝阳.含能晶体中分子间相互作用的特点及其启示[J].含能材料, 2020, 28(9):889-901. DOI:10.11943/CJEM2020142.
ZHANG Chao-yang. Characteristics and Enlightenment from the Intermolecular Interactions in Energetic Crystals[J]. Chinese Journal of Energetic Materials, 2020, 28(9):889-901. DOI:10.11943/CJEM2020142.

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历史
  • 收稿日期: 2020-06-15
  • 最后修改日期: 2020-07-21
  • 录用日期: 2020-06-29
  • 在线发布日期: 2020-07-16
  • 出版日期: 2020-09-25