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Proceedings Paper

Absorption and fluorescence spectra of organic compounds from 40 sources: archives, repositories, databases, and literature search engines
Author(s): Masahiko Taniguchi; Jonathan S. Lindsey
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Paper Abstract

Absorption and fluorescence spectra are foundational data for studies in photochemistry as well as any area of science or technology that entails electronic spectroscopy. The data of interest include the spectra (graphs of intensity as a function of wavelength or wavenumber), the respective quantitative photophysical parameters – molar absorption coefficient [ε(λ)] and the fluorescence quantum yield [Φf] – and the conditions under which the data were obtained. Yet such qualitative and quantitative data are scattered across a wide landscape. Modern search engines provide access to much of the world’s published scientific literature (<108 articles) spanning <100 years but are surprisingly ineffective at pinpointing spectra and companion photophysical parameters. Manual curation has led to valuable collections albeit of uneven contents: some include spectra, others include only listings of spectral data (e.g., positions of peak intensity [λmax]), and many are not available in digital form. Numerous calculations in photophysics, such as propensity for Förster resonance energy transfer (FRET), require spectra and cannot be carried out with tabular listings of values of λmax, ε(λ) and Φf. Here, we summarize the spectral data available in 27 printed archives (beginning in the early 20th century), in repositories or databases at a dozen dedicated websites, and via scholarly literature search tools. The websites and search tools include PubChem, ChemSpider, NIST Chemistry WebBook, SciFinder, Reaxys, Google Scholar, Microsoft Academic, and Web of Science. This work is part of a long-term project to organize and assemble the world of spectral data for the molecular photosciences.

Paper Details

Date Published: 21 February 2020
PDF: 20 pages
Proc. SPIE 11256, Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XII, 112560J (21 February 2020); doi: 10.1117/12.2542859
Show Author Affiliations
Masahiko Taniguchi, North Carolina State Univ. (United States)
Jonathan S. Lindsey, North Carolina State Univ. (United States)


Published in SPIE Proceedings Vol. 11256:
Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XII
Samuel Achilefu; Ramesh Raghavachari, Editor(s)

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