Add time:07/22/2019         Source:sciencedirect.com

Terephthalic acid (cas 100-21-0) has been investigated by Raman spectroscopy up to 15 GPa. According to ab initio calculations, it can be speculated that both of π-π stacking interactions between molecules and the symmetry of hydrogen bonds are enhanced with gradually increasing pressure. Furthermore, we use the Hirshfeld surface to map the π-π stacking interaction in the TPA molecule at high pressure. The Raman spectra and ab initio calculation results indicate that the phase stability of TPA is related to the one-dimensional hydrogen bond network and inter-chain aromatic π-π stacking interaction.

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