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 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.) Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2005/z501781_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.