O:H N bond cooperativity in the energetic TATB under mechanical and thermal perturbation

Zhibo Tong,Wei Sun,Chongyang Li,Zhixu Tang,Yongli Huang,Chuang Yao,Lei Zhang,Chang Q. Sun

Journal of Molecular Liquids（2022）

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摘要

The HN bond in the TATB assembly exhibits excitingly negative compressibility and negative thermal expansivity because of the unprecedented ON coupling interactions.

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关键词

Molecular crystal,Hydrogen bond,Perturbation,Bond relaxation,Coupling interactions

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