分子间力
太赫兹辐射
分子内力
密度泛函理论
阿魏酸
吸收(声学)
吸收光谱法
太赫兹光谱与技术
材料科学
分子
光谱学
红外光谱学
太赫兹时域光谱学
分子振动
化学
分析化学(期刊)
计算化学
立体化学
物理
光电子学
光学
有机化学
量子力学
食品科学
复合材料
作者
Tianying Chang,Jie Liang,Dongshan Wei,Hong‐Liang Cui
出处
期刊:Journal of The Optical Society of America B-optical Physics
[The Optical Society]
日期:2024-01-09
卷期号:41 (2): 508-508
被引量:1
摘要
Ferulic acid (FA, C 10 H 10 O 4 ), a type of hydroxycinnamic acid derivative, has beneficial pharmacological effects and biological activities and is known for its high application value in medicine, health care, and cosmetic products. The vibration spectrum of FA ranging from 0.3 THz to 2.0 THz has been investigated by terahertz time-domain spectroscopy. The characteristic absorption peaks located at 0.937, 1.159, 1.464, 1.694, and 1.910 THz are obtained experimentally. To understand the origin of the characteristic absorption peaks of FA, density functional theory calculations based on isolated molecule and crystalline structure are separately performed to differentiate the intramolecular and intermolecular vibrational modes. Combined analysis of the experimental and theoretical results informs that the characteristic absorption peak at 1.464 THz comes from intramolecular interaction, and the ones at 0.937, 1.159, 1.694, and 1.910 THz originate from intermolecular collective vibrational modes.
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