Cocrystal Formation between Isoniazid and Protocatechuic Acid Based on Terahertz Spectroscopy and DFT Simulation

摘要

The cocrystal of isoniazid and protocatechuic acid under slow solvent evaporation condition has been characterized by terahertz spectroscopic technique. We used DFT to calculate the THz absorption spectrum of the cocrystal, which is consistent with the experimental results. And vibrational modes of the cocrystal between isoniazid and protocatechuic acid were assigned.