title: 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.
authors.affiliation: CEISAM, UMR CNRS 6230, Université de Nantes, 2, Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3, France. Denis.Jacquemin@univ-nantes.fr.
authors.forename: Ymène
authors.initials: Y
authors.lastname: Houari
authors.forename: Azzam
authors.initials: A
authors.lastname: Charaf-Eddin
authors.forename: Adèle D
authors.initials: AD
authors.lastname: Laurent
authors.forename: Julien
authors.initials: J
authors.lastname: Massue
authors.forename: Raymond
authors.initials: R
authors.lastname: Ziessel
authors.forename: Gilles
authors.initials: G
authors.lastname: Ulrich
authors.forename: Denis
authors.initials: D
authors.lastname: Jacquemin