== Overview ==
ComplexRI is a web tool to analyze ATR-IR spectra to derive quantitative complex refractive index as a function of infrared wavenumber. It was developed to observe the dispersion in the complex refractive index spectra within a vibrational band. The dispersion can be remarkable in the intense IR bands, though experimental data of various systems and bands are rather scarce in the literature. The ComplexRI program allows a user to obtain the quantitative spectra of the complex refractive index of a system in question whenever necessary in combination with ATR-IR measurement.
== Features ==
- • Free to use. All operations are in web browser.
- • Input ATR-IR spectra, output complex refractive index.
- • Specify the target vibrational regions by users.
- • Free from determination of optical path length.
- • Automatically generate initial guess in the fitting.
== Developing History ==
The development of ComplexRI was done by Lin Wang, Ryo Murata, Teppei Kamimura, Akihiro Morita in the lab of computational molecular science at Tohoku University.
The main code was first developed by Wang in 2019 when he investigated the dispersion of Fresnel factor in electrode/electrolyte interfaces. [1] In 2020, Murata and Wang further extended the code and generated a complex refractive index database with about 20 commonly used liquids in SFG studies. [2] Wang used the database and discussed the general influence of dispersion of Fresnel factor in the SFG spectra analysis. [3]. In 2021, the program code was summarized and opened to the website by Kamimura under the supervise of Wang and Morita. The automatic fitting procedure is updated. Kamimura and Wang also created the MediaWiki manual page for ComplexRI.
Many thanks to the experimental collaborators during the development.
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• Dr. Satoshi Nihonyanagi (RIKEN), Dr. Ken-ichi Inoue (Tohoku Univ.), Prof. Shen Ye (Tohoku Univ.), Dr. Tahei Tahara (RIKEN).
== Version History ==
- Version1.0.1(2022/2)
- Version1.0(2022/2)
Support the csv file as input. Initial parameters in the aotumatical mode are properly set according to the experimental data.
ComplexRI is released
== Cite ComplexRI ==
Please cite the following references if ComplexRI is helpful.
[1] "Effect of Frequency-Dependent Fresnel Factor on the Vibrational Sum Frequency Generation Spectra for Liquid/Solid Interfaces" Lin Wang, Satoshi Nihonyanagi, Ken-ichi Inoue, Kei Nishikawa, Akihiro Morita, Shen Ye, Tahei Tahara, J. Phys. Chem. C, 123(25) 15665-15673 (2019).
[2] "Dispersion of Complex Refractive Indices for Intense Vibrational Bands. I Quantitative Spectra" Ryo Murata, Ken-ichi Inoue, Lin Wang, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 125(34), 9794-9803 (2021).
[3] "Dispersion of Complex Refractive Indices for Intense Vibrational Bands. II Implication to Sum Frequency Generation Spectroscopy" Lin Wang, Ryo Murata, Ken-ichi Inoue, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 125(34), 9804-9810 (2021).
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