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Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2014

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

Résumé

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.
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Dates et versions

hal-01389023 , version 1 (27-10-2016)

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Ymene Houari, Azzam Charaf-Eddin, Adele D. Laurent, Julien Massue, Raymond Ziessel, et al.. Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes. Physical Chemistry Chemical Physics, 2014, 16 (4), pp.1319-1321. ⟨10.1039/c3cp54703e⟩. ⟨hal-01389023⟩
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