对乙酰氨基酚的拉曼光谱和红外光谱研究

Study of Acetaminophen by Raman Spectrum and Infrared Spectrum

文章用理论计算(DFT,密度泛函理论)和实验两种方法得到了对乙酰氨基酚的拉曼光谱(NRS)和红外光谱(IRS)。得到的理论值和实验值的基本符合。通过对其对比分析,再结合相关文献,对其拉曼光谱和红外光谱振动模式的归属分别进行了指认。

In this paper, the Raman spectrum and IR spectrum of acetaminophen was obtained by density functional theory （DFT） calculation and experimental methods. Assignments of the Raman and IR bands for acetaminophen was presented by analyzing the Raman spectrum and IR spectrum, respectively.