Issue 4, 2014
From the journal:

Physical Chemistry Chemical Physics

Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes†

Ymène Houari,a   Azzam Charaf-Eddin,a   Adèle D. Laurent,a   Julien Massue,b   Raymond Ziessel,b   Gilles Ulrichb  and  Denis Jacquemin*ac  

* Corresponding authors

a CEISAM, UMR CNRS 6230, Université de Nantes, 2, Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3, France
E-mail: Denis.Jacquemin@univ-nantes.fr

b ICPEES-LCOSA, UMR CNRS 7575, Ecole de Chimie, Polymères, Matériaux de Strasbourg (ECPM), 25 rue Becquerel, 67087 Strasbourg Cedex 2, France
E-mail: gulrich@unistra.fr

c Institut Universitaire de France, 103 bd St Michel, 75005 Paris Cedex 5, France

Abstract

The potential energy surfaces of dyes displaying strong excited-state intramolecular proton transfer (ESIPT) are investigated with the help of ab initio tools. It allows us to rationalize the interplay between the excited-state transition free energies and the observed optical signatures.

Graphical abstract: Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes

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Article information

DOI
https://doi.org/10.1039/C3CP54703E
Article type
Communication
Submitted
02 Oct 2013
Accepted
07 Nov 2013
First published
14 Nov 2013

Phys. Chem. Chem. Phys., 2014,16, 1319-1321

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Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes

Y. Houari, A. Charaf-Eddin, A. D. Laurent, J. Massue, R. Ziessel, G. Ulrich and D. Jacquemin, Phys. Chem. Chem. Phys., 2014, 16, 1319 DOI: 10.1039/C3CP54703E

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