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Hexafluorobenzene under Extreme Conditions.

Michael Pravica¹, Daniel Sneed¹, Yonggang Wang¹

¹High Pressure Science and Engineering Center and Department of Physics, University of Nevada Las Vegas , Las Vegas, Nevada 89154-4002, United States.

The Journal of Physical Chemistry. B

|February 25, 2016

Summary

High pressure experiments reveal hexafluorobenzene (C6F6) undergoes multiple reversible phase transitions up to 25.6 GPa. Above 20 GPa, irreversible changes lead to an amorphous solid.

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Area of Science:

Materials Science
High-Pressure Physics
Spectroscopy

Background:

Hexafluorobenzene (C6F6) is a molecule of interest in various chemical and physical studies.
Understanding its behavior under extreme conditions, such as high pressure, is crucial for fundamental science and potential applications.

Purpose of the Study:

To investigate the phase transitions and structural changes of hexafluorobenzene (C6F6) under high pressure.
To characterize the reversibility and irreversibility of these pressure-induced transformations.

Main Methods:

Raman spectroscopy up to 34.4 GPa.
Infrared (IR) spectroscopy up to 14.6 GPa.
Angular dispersive X-ray diffraction up to 25.6 GPa.

Main Results:

Observed multiple phase transitions: I → II (~2 GPa), II → III (~8.8 GPa), III → IV (>20.6 GPa), and IV → V (>15.5 GPa).
Confirmed reversibility of alterations below 25.6 GPa through pressure cycling.
Identified irreversible spectral changes and loss of long-range crystalline order above 20 GPa, resulting in an amorphous solid.

Conclusions:

Hexafluorobenzene exhibits complex phase behavior under high pressure, with distinct transitions and a pressure-induced amorphous state.
The transition to an amorphous solid above 20 GPa is irreversible upon pressure release.