Experimental database of optical properties of organic compounds

Joonyoung F. Joung; Minhi Han; Minseok Jeong; Sungnam Park

doi:10.1038/s41597-020-00634-8

Experimental database of optical properties of organic compounds

Joonyoung F. Joung, Minhi Han, Minseok Jeong, Sungnam Park

Research output: Contribution to journal › Article › peer-review

67 Citations (Scopus)

Abstract

Experimental databases on the optical properties of organic chromophores are important for the implementation of data-driven chemistry using machine learning. Herein, we present a series of experimental data including various optical properties such as the first absorption and emission maximum wavelengths and their bandwidths (full width at half maximum), extinction coefficient, photoluminescence quantum yield, and fluorescence lifetime. A database of 20,236 data points was developed by collecting the optical properties of organic compounds already reported in the literature. A dataset of 7,016 unique organic chromophores in 365 solvents or in solid state is available in CSV format.

Original language	English
Article number	295
Journal	Scientific data
Volume	7
Issue number	1
DOIs	https://doi.org/10.1038/s41597-020-00634-8
Publication status	Published - 2020 Dec 1

Bibliographical note

Funding Information:
This study was supported by grants from the National Research Foundation of Korea (NRF) funded by the Korean government (MSIP) (No. 2019R1H1A2079968 and 2019R1A6A1A11044070).

Publisher Copyright:
© 2020, The Author(s).

ASJC Scopus subject areas

Statistics and Probability
Information Systems
Education
Computer Science Applications
Statistics, Probability and Uncertainty
Library and Information Sciences

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Experimental database of optical properties of organic compounds

Abstract

Bibliographical note

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