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A Rational Design of Catechol‐Based Compounds: An Experimental and Theoretical Study of Optical Properties |
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| Authors: | Christophe Aronica Dr Anna Venancio‐Marques Jérôme Chauvin Dr Vincent Robert Dr Gilles Lemercier Prof |
| Institution: | 1. Université de Lyon, Laboratoire de Chimie, ENS‐Lyon, CNRS, 46, Allée d'Italie, 69364 Lyon Cedex 07 (France), Fax: (+33)?472728860;2. Université Joseph Fourier, CNRS 5250, ICMG FR‐2607, Département de Chimie Moléculaire, B.P. 5, 38402 St Martin d'Hères (France);3. Université Reims Champagne‐Ardenne, ICMR–UMR CNRS 6229, Groupe Chimie de Coordination, B.P. 1039, 51687 Reims Cedex 2 (France), Fax: (+33)?326913243 |
| Abstract: | Finely tuned optical properties : The optical properties of substituted protected catechol derivatives can be fine‐tuned (see scheme; TBDMS=tert‐butyldimethylsilyloxy). The DFT‐calculated polarisabilities are compared with experimental data.  |
| Keywords: | charge transfer density functional calculations luminescence nonlinear optics polarizability |