High-pressure effects in pyrene crystals: Vibrational spectroscopy

B. Sun; Z. A. Dreger; Y. M. Gupta

doi:10.1021/jp806382x

High-pressure effects in pyrene crystals: Vibrational spectroscopy

B. Sun, Z. A. Dreger, Y. M. Gupta

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Abstract

The response of pyrene crystals to high pressure was examined using Raman and FTIR spectroscopies. Raman spectra of external and internal modes were measured up to 11 GPa. Changes in the external modes were observed at ∼0.3 GPa, indicating the onset of a phase transition. We demonstrated that at this pressure pyrene I (P2₁/a, 4 mol/unit cell) transforms to pyrene III (P2₁/a, 2 mol/unit cell). Further increase of pressure produced a gradual broadening of the internal modes and an increase of fluorescence background, indicating the formation of another phase above 2.0 GPa. Irreversible chemical changes were observed upon gradual compression to 40 GPa. FTIR spectroscopy of the recovered product indicated a transformation of pyrene into an amorphous hydrogenated carbon (a-C:H) structure.

Original language	English
Pages (from-to)	10546-10551
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	112
Issue number	42
DOIs	https://doi.org/10.1021/jp806382x
State	Published - Oct 23 2008

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abstract = "The response of pyrene crystals to high pressure was examined using Raman and FTIR spectroscopies. Raman spectra of external and internal modes were measured up to 11 GPa. Changes in the external modes were observed at ∼0.3 GPa, indicating the onset of a phase transition. We demonstrated that at this pressure pyrene I (P21/a, 4 mol/unit cell) transforms to pyrene III (P21/a, 2 mol/unit cell). Further increase of pressure produced a gradual broadening of the internal modes and an increase of fluorescence background, indicating the formation of another phase above 2.0 GPa. Irreversible chemical changes were observed upon gradual compression to 40 GPa. FTIR spectroscopy of the recovered product indicated a transformation of pyrene into an amorphous hydrogenated carbon (a-C:H) structure.",

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AU - Dreger, Z. A.

AU - Gupta, Y. M.

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N2 - The response of pyrene crystals to high pressure was examined using Raman and FTIR spectroscopies. Raman spectra of external and internal modes were measured up to 11 GPa. Changes in the external modes were observed at ∼0.3 GPa, indicating the onset of a phase transition. We demonstrated that at this pressure pyrene I (P21/a, 4 mol/unit cell) transforms to pyrene III (P21/a, 2 mol/unit cell). Further increase of pressure produced a gradual broadening of the internal modes and an increase of fluorescence background, indicating the formation of another phase above 2.0 GPa. Irreversible chemical changes were observed upon gradual compression to 40 GPa. FTIR spectroscopy of the recovered product indicated a transformation of pyrene into an amorphous hydrogenated carbon (a-C:H) structure.

AB - The response of pyrene crystals to high pressure was examined using Raman and FTIR spectroscopies. Raman spectra of external and internal modes were measured up to 11 GPa. Changes in the external modes were observed at ∼0.3 GPa, indicating the onset of a phase transition. We demonstrated that at this pressure pyrene I (P21/a, 4 mol/unit cell) transforms to pyrene III (P21/a, 2 mol/unit cell). Further increase of pressure produced a gradual broadening of the internal modes and an increase of fluorescence background, indicating the formation of another phase above 2.0 GPa. Irreversible chemical changes were observed upon gradual compression to 40 GPa. FTIR spectroscopy of the recovered product indicated a transformation of pyrene into an amorphous hydrogenated carbon (a-C:H) structure.

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JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

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High-pressure effects in pyrene crystals: Vibrational spectroscopy

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