[20a-H135-1~12] 3.9 Terahertz technologies

[20a-H135-11] Single crystal growth of isoniazid and vibrational mode assignment by terahertz polarization spectroscopy

〇Tetsuo Sasaki¹, Makoto Otsuka², Tomoaki Sakamoto³ (1.Shizuoka Univ., 2.Musashino Univ., 3.NIHS)

Keywords:terahertz spectroscopy,pharmaceuticals,single crystal

We performed the single crystal growth of isoniazid (C₆H₇N₃O, an anti-tuberculosis drug) suitable for THz transmission spectroscopy and applied terahertz polarization dependent spectroscopy. Comparing with the fundamental molecular vibration mode frequencies and intensities calculated by a quantum chemistry calculation based on the density functional theory (DFT) and measured terahertz absorptions in each direction, we have tried mode assignment in terahertz frequency range.