Benzonitrile
Compound
PhotochemCAD ID:
A12
Class: Aromatic
Hydrocarbons
Name: Benzonitrile
Synonym: Phenyl cyanide
CAS: 100-47-0
Source: Sigma-Aldrich,
B8959
Structure: ChemDraw file
(.cdx)
Absorption
Spectrum
Solvent: cyclohexane
Instrument: Agilent 8453
Date: January, 2017
By: Masahiko Taniguchi
Absorption coefficient: 13,100 at 222 nm, 620 at 270 nm
Absorption
spectrum data file 1 (text file)
Absorption spectrum data file 2 (text file)
Absorption
spectrum picture file 1 (600 dpi, tif file)
Absorption
spectrum picture file 2 (600 dpi, tif file)
Fluorescence
Spectrum
Solvent: cyclohexane
Instrument: PTI QM-4/2003 SE
Date: January, 2017
By: Masahiko Taniguchi
Fluorescence quantum yield: 0.23
Fluorescence
spectrum file (text file)
Fluorescence
spectrum picture file (600 dpi, tif file)
See/cite
the papers listed below for further information.
Taniguchi, M., H. Du and
J. S. Lindsey (2018) PhotochemCAD
3: Diverse Modules for Photophysical Calculations with Multiple Spectral
Databases. Photochem. Photobiol. 94, in
press.
Taniguchi, M. and J. S.
Lindsey (2018) Database of absorption and fluorescence spectra of >300
common compounds for use in PhotochemCAD. Photochem.
Photobiol. 94, in press.
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