TY - JOUR
T1 - Dispersion of Complex Refractive Indices for Intense Vibrational Bands. I. Quantitative Spectra
AU - Murata, Ryo
AU - Inoue, Ken Ichi
AU - Wang, Lin
AU - Ye, Shen
AU - Morita, Akihiro
N1 - Funding Information:
We thank Drs. Satoshi Nihonyanagi and Tahei Tahara for valuable comments. This work was supported by the Grants-in-Aid for Scientific Research (Nos. 18H05265, 19K15496, 20H00368) by Japan Society for the Promotion of Science, Leading Initiative for Excellent Young Researchers (LEADER) from Ministry of Education, Culture, Sports, Science and Technology, Japan, and Strategic International Collaborative Research Program (SICORP, No. JPMJSC18HA) by Japan Science and Technology Agency.
Publisher Copyright:
©
PY - 2021/9/2
Y1 - 2021/9/2
N2 - 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.
AB - 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.
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U2 - 10.1021/acs.jpcb.1c06189
DO - 10.1021/acs.jpcb.1c06189
M3 - Article
C2 - 34403590
AN - SCOPUS:85114317323
VL - 125
SP - 9794
EP - 9803
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
SN - 1520-6106
IS - 34
ER -