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Experimental database of optical properties of organic compounds.

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.

SUBMITTER: Joung JF

PROVIDER: S-EPMC7478979 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Experimental database of optical properties of organic compounds.

Joung Joonyoung F JF Han Minhi M Jeong Minseok M Park Sungnam S

Scientific data 20200908 1

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 collecti ...[more]

PMID: 32901041

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