Cargando…

Experimental database of optical properties of organic compounds

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 wavel...

Descripción completa

Detalles Bibliográficos
Autores principales: Joung, Joonyoung F., Han, Minhi, Jeong, Minseok, Park, Sungnam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7478979/
https://www.ncbi.nlm.nih.gov/pubmed/32901041
http://dx.doi.org/10.1038/s41597-020-00634-8
_version_ 1783580171369971712
author Joung, Joonyoung F.
Han, Minhi
Jeong, Minseok
Park, Sungnam
author_facet Joung, Joonyoung F.
Han, Minhi
Jeong, Minseok
Park, Sungnam
author_sort Joung, Joonyoung F.
collection PubMed
description 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.
format Online
Article
Text
id pubmed-7478979
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-74789792020-09-21 Experimental database of optical properties of organic compounds Joung, Joonyoung F. Han, Minhi Jeong, Minseok Park, Sungnam Sci Data Data Descriptor 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. Nature Publishing Group UK 2020-09-08 /pmc/articles/PMC7478979/ /pubmed/32901041 http://dx.doi.org/10.1038/s41597-020-00634-8 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. The Creative Commons Public Domain Dedication waiver http://creativecommons.org/publicdomain/zero/1.0/ applies to the metadata files associated with this article.
spellingShingle Data Descriptor
Joung, Joonyoung F.
Han, Minhi
Jeong, Minseok
Park, Sungnam
Experimental database of optical properties of organic compounds
title Experimental database of optical properties of organic compounds
title_full Experimental database of optical properties of organic compounds
title_fullStr Experimental database of optical properties of organic compounds
title_full_unstemmed Experimental database of optical properties of organic compounds
title_short Experimental database of optical properties of organic compounds
title_sort experimental database of optical properties of organic compounds
topic Data Descriptor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7478979/
https://www.ncbi.nlm.nih.gov/pubmed/32901041
http://dx.doi.org/10.1038/s41597-020-00634-8
work_keys_str_mv AT joungjoonyoungf experimentaldatabaseofopticalpropertiesoforganiccompounds
AT hanminhi experimentaldatabaseofopticalpropertiesoforganiccompounds
AT jeongminseok experimentaldatabaseofopticalpropertiesoforganiccompounds
AT parksungnam experimentaldatabaseofopticalpropertiesoforganiccompounds