为了获得有机磷农药乙酰甲胺磷在远红外波段的光学特性,采用太赫兹时域光谱技术(THz-TDS),测量了室温下乙酰甲胺磷在0.2~2.2THz的高分辨率吸收谱和折射率谱.结果表明,在室温和氮气环境下,特征吸收峰位于1.58和2.10THz处,平均折射率为1.45.同时运用密度泛函理论(DFT)计算了乙酰甲胺磷分子结构及其在太赫兹波段的振动频率,并根据计算结果对实验数据进行了解析,计算结果与实验数据吻合较好.研究结果表明,实验光谱的特征吸收峰是由分子的集体振动及扭转形成,不同的吸收峰位对应分子不同的振转模式.
To obtain the optical characteristics of organophosphorus pesticide aeephate in the far-infrared range, the terahertz time-domain spectroscopy (THz-TDS) was used to measure the absorption coefficient and the refractive index of acephate in the frequency range 0.2~2.2 THz. Under the room temperature and nitrogen conditions, the absorption peaks were found at 1.58 and 2.10 THz, and the average refractive index of the sample was 1. 45. In parallel with the experimental study, density functional theory (DFT) was applied to obtain the structure and vibrational frequencies of acephate in terahertz region. The calculated results were in reasonable agreement with the experimental data. The absorption features are caused by the collective vibrational and torsional modes, and different absorption peaks correspond to different vibrational modes.