Molecular Mechanism of the Solid-State Fluorescence Behavior of the Organic Pigment Yellow 101 and Its Derivatives

Close and yet fluorescent: Derivatives of Pigment Yellow 101 can exhibit small intermolecular distances in the solid‐state crystal structures. Nevertheless, these compounds show strong solid‐state fluorescence. X‐ray structure determinations and elaborate quantum‐chemical calculations indicate that...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2005-12, Vol.44 (47), p.7783-7786
Main Authors: Dreuw, Andreas, Plötner, Jürgen, Lorenz, Lisa, Wachtveitl, Josef, Djanhan, Juste E., Brüning, Jürgen, Metz, Thomas, Bolte, Michael, Schmidt, Martin U.
Format: Article
Language:English
Subjects:
density functional calculations
dyes/pigments
fluorescence
solid-state structures
UV/Vis spectroscopy
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Summary:Close and yet fluorescent: Derivatives of Pigment Yellow 101 can exhibit small intermolecular distances in the solid‐state crystal structures. Nevertheless, these compounds show strong solid‐state fluorescence. X‐ray structure determinations and elaborate quantum‐chemical calculations indicate that the unexpected fluorescence is a property of the individual molecules which is retained in the crystal. (Excited state energies are plotted along a CNN bending mode.)
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200501781