有一个取代者代替的一个氢原子的安息香的酸和它的衍生物的解决得好的吸收系列组织 CH3,哦, NH2 或 NO2 在在 6 和 67 厘米之间的频率区域被报导 ? 1 在有兆兆赫时间域光谱学(THz-TDS ) 的房间温度。这些物质能基于兆兆赫吸收系列容易被区分。大小建议在分子的配置和化学作文的甚至次要的变化在 THz 光谱导致不同差别。密度功能的理论(DFT ) 方法被用来帮助安息香的酸和它的甲基衍生物的单个 THz 吸收系列的分析和任务。样品的观察 THz 回答能被分到与分子间的氢契约联系的集体颤动。
Well-resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH3, OH, NH2 or NO2 were reported in the frequency region between 6 and 67 cm^-1 at room temperature with terahertz time-domain spectroscopy (THz-TDS). These substances can be distinguished easily based on the terahertz absorption spectra. The measurements suggested that even minor changes in the molecular configuration and chemical composition lead to distinct differences in THz spectrum. Density functional theory (DFT) method was used to assist the analysis and assignment of the individual THz absorption spectra of benzoic acid and its methyl derivatives. Observed THz responses of samples can be assigned to the collective vibrations associated with intermolecular hydrogen bonds.