Issue 4, 2014

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

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

Supplementary files

Article information

Article type
Communication
Submitted
02 Oct 2013
Accepted
07 Nov 2013
First published
14 Nov 2013

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

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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