Research data for manuscript: Pressure-induced self-assembly in 3-phenylpropanal: distinct clustering via π-stacking and distorted H-Bonds

This study uncovers how high pressure uniquely manipulates 3-phenyl-1-propanal’s (3P1Pal) dynamics and interactions. Dielectric analysis reveals an anomalous compressed Debye process, signaling a distinct clustering pathway. FTIR and Raman spectroscopy, with simulations, demonstrate high-pressure aggregation is governed by π-stacking and distorted H-bonds, forming larger, denser clusters than those created by cooling. Ultimately, high compression uniquely tailors dynamics and self-assembly, revealing novel assembly principles in viscous liquids.The dataset contains raw high-pressure dielectric, FTIR, and Raman data, collected for 3-phenylpropanal (3PhPal). Calorimetric measurements have also been added.