Murata Ryo, Inoue Ken-Ichi, Wang Lin, Ye Shen, Morita Akihiro
Department of Chemistry, Graduate School of Science, Tohoku University, Aoba-ku, Sendai 980-8578, Japan.
Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8520, Japan.
J Phys Chem B. 2021 Sep 2;125(34):9794-9803. doi: 10.1021/acs.jpcb.1c06189. Epub 2021 Aug 17.
This paper reviews the dispersion of complex refractive indices for representative intense vibrational bands of organic liquids in the absolute scale. Conspicuous variations in both real and imaginary refractive indices over the intense bands are precisely determined as a function of infrared wavenumber by attenuated total reflection infrared absorption measurement. The accurate spectral data offer an excellent reference to calibrate the absolute infrared intensities by various quantum chemical calculations, and thus, critical comparison between the present experiment and computation was reported to clarify the general accuracy of the quantum chemical calculations. The precise data of the dispersion will be utilized to clarify their impact on the analysis of vibrational spectroscopy of interfaces in the subsequent paper.
本文回顾了有机液体在绝对尺度下代表性强振动带的复折射率色散情况。通过衰减全反射红外吸收测量，精确确定了强振动带上实折射率和虚折射率随红外波数的显著变化。这些精确的光谱数据为通过各种量子化学计算校准绝对红外强度提供了极好的参考，因此，报告了当前实验与计算之间的关键比较，以阐明量子化学计算的总体准确性。色散的精确数据将用于在后续论文中阐明它们对界面振动光谱分析的影响。
