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Insights into temperature-induced phase transition mechanism of CL-20 using terahertz spectroscopy.

PubMed
Authors: Duan Y, Liu Q, Wang M, Zhu Y, Zhang Q, Duan X, Deng H, Shang L

Year

2024

Paper ID

9508

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

79

Citations

N/A

Abstract

Understanding the phase transition mechanism of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) is crucial for ensuring its safe applications. In this study, we observed the temperature-induced phase transition of CL-20 using terahertz spectroscopy. Subsequently, quantum chemical calculations were employed to assign the vibrations to experimental absorptions. Finally, the variations of intra- and intermolecular vibrations before and after phase transition were analyzed. The results indicated hydrogen bonds formed by the rotation of 5-nitro promoted hydrogen transfer, resulting in the decrease in thermal stability.

Why This Paper Matters

  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
  • It adds a 2024 reference point for readers tracking recent quantum research.
  • Understanding the phase transition mechanism of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) is crucial for ensuring its safe applications.

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References & Citation Signals

[1] DOI https://doi.org/10.1016/j.saa.2023.123640 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/37995650/

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