Details

Autor(en) / Beteiligte

• Taniguchi, Masahiko
• Lindsey, Jonathan S.

Titel

Database of Absorption and Fluorescence Spectra of >300 Common Compounds for use in PhotochemCAD

Ist Teil von

• Photochemistry and photobiology, 2018-03, Vol.94 (2), p.290-327

Ort / Verlag

United States: Blackwell Publishing Ltd

Erscheinungsjahr

2018

Quelle

Wiley Online Library - AutoHoldings Journals

Beschreibungen/Notizen

• The design of new molecules for photochemical studies typically requires knowledge of spectral features of pertinent chromophores beginning with the absorption spectrum (λabs) and accompanying molar absorption coefficient (ε, m−1 cm−1) and often extending to the fluorescence spectrum (λem) and fluorescence quantum yield (Φf), where the fluorescence properties may be of direct relevance or useful as proxies to gain insight into the nature of the first excited singlet state. PhotochemCAD databases, developed over a period of 30 years, are described here. The previous databases for 150 compounds have been expanded to encompass 339 compounds for which absorption spectra (including ε values), fluorescence spectra (including Φf values) and references to the primary literature have been included where available (552 spectra altogether). The compounds exhibit spectra in the ultraviolet, visible and/or near‐infrared spectral regions. The compound classes and number of members include acridines (21), aromatic hydrocarbons (41), arylmethane dyes (11), azo dyes (18), biomolecules (18), chlorins/bacteriochlorins (16), coumarins (14), cyanine dyes (19), dipyrrins (7), heterocycles (26), miscellaneous dyes (13), oligophenylenes (13), oligopyrroles (6), perylenes (5), phthalocyanines (11), polycyclic aromatic hydrocarbons (16), polyenes/polyynes (10), porphyrins (34), quinones (24) and xanthenes (15). A database of 31 solar spectra also is included. The availability of absorption and fluorescence data (with ε and Φf values) is essential for for diverse studies in photochemistry including informed molecular design of photofunctional molecules. Such spectra for 339 compounds (spanning the ultraviolet, visible, and near‐infrared spectral regions) have been assembled (339 absorption, 213 fluorescence spectra) in a database that is rooted with >650 references to the original scientific literature. A small database of 31 solar spectra also is available. The databases are available for diverse photophysical and spectrometric calculations with PhotochemCAD or other programs.