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Volume 38 Issue 3
Jun 2024
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Chinese Journal of High Pressure Physics  > 2024  >  38(3): 030110.
ZENG Yangyang, ZHU Gangbei, WANG Wentao, BAI Sha, ZHENG Zhaoyang, YU Guoyang, YANG Yanqiang. Mid- and Far-Infrared Spectroscopic and First-Principles Computational Study of the Structural Evolution of Hydrazine Nitrate under High Pressure[J]. Chinese Journal of High Pressure Physics, 2024, 38(3): 030110. doi: 10.11858/gywlxb.20230804
Citation: ZENG Yangyang, ZHU Gangbei, WANG Wentao, BAI Sha, ZHENG Zhaoyang, YU Guoyang, YANG Yanqiang. Mid- and Far-Infrared Spectroscopic and First-Principles Computational Study of the Structural Evolution of Hydrazine Nitrate under High Pressure[J]. Chinese Journal of High Pressure Physics, 2024, 38(3): 030110. doi: 10.11858/gywlxb.20230804
shu

Mid- and Far-Infrared Spectroscopic and First-Principles Computational Study of the Structural Evolution of Hydrazine Nitrate under High Pressure

doi: 10.11858/gywlxb.20230804
  • 1.

    Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, Sichuan, China

  • 2.

    Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning, China

  • 3.

    College of Chemistry and Materials Science, Northwest University, Xi’an 710127, Shaanxi, China

  • Received Date: 06 Dec 2023
  • Rev Recd Date: 22 Dec 2023
    • Available Online: 14 Mar 2024
  • Issue Publish Date: 03 Jun 2024
    Abstract
  • For energetic materials, the lattice vibration modes in the 6 THz (200 cm−1) range are very sensitive to structural changes caused by external temperature and pressure changes. Therefore, mid- and far-infrared vibrational spectroscopy can be used as a powerful tool to study high-pressure phase transitions in these materials. We have obtained high-pressure vibrational spectra of hydrazine nitrate, using mid- and far-infrared ultra-broadband spectroscopy, whose broadband was generated by air plasma, combined with a diamond anvil cell (DAC). The crystal structure of hydrazine nitrate, as well as the infrared spectrum, were calculated by using the first principle method. Based on the calculation, the intermolecular interactions were analyzed. Combined with the experimental results, it was revealed that the structural changes under pressure alter the strength of intermolecular hydrogen bonds and van der Waals interactions, which in turn affects the low-frequency vibrational modes. And by analyzing the vibrational spectra, we observed the phase transition process of hydrazine nitrate.

     

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