Intermolecular Vibration Energy Transfer Process in Two CL-20-Based Cocrystals Theoretically Revealed by Two-Dimensional Infrared Spectra

Intermolecular Vibration Energy Transfer Process in Two CL-20-Based Cocrystals Theoretically Revealed by Two-Dimensional Infrared Spectra

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Inspired by the recent cocrystallization and theory of energetic materials, we theoretically investigated the intermolecular vibrational energy transfer process and the non-covalent intermo-lecular interactions between explosive compounds. The intermolecular interactions between 2,4,6-trinitrotoluen...

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Bibliographic Details
Main Authors: Chen, T.-N (Author), Ji, G.-F (Author), Ji, L.-X (Author), Jia, X.-Z (Author), Liu, R.-P (Author), Ren, H.-C (Author), Wang, X.-F (Author), Wei, D.-Q (Author), Zhang, X.-Q (Author)
Format: Article
Language:English
Published: MDPI 2022
Subjects:
chemistry
co-crystal HMX/CL-20
cocrystal TNT/CL-20
energy transfer
Energy Transfer
explosive
Explosive Agents
hydrogen bond
Hydrogen Bonding
impact sensitivity
Mayer bond order density
non-covalent interaction
trinitrotoluene
Trinitrotoluene
two-dimensional infrared spectra
vibration
Vibration
vibration energy transfer
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