title: Structure and dynamics of the excited states of 1,3-diarylisobenzofurans: an experimental and theoretical study.
abstract: The emission properties of a series of substituted 1,3-diarylisobenzofurans have been studied. Most compounds exhibit very intense emission in the nanosecond timescale at room temperature as well as at 77 K. The room temperature emission is attributed to the deactivation of a twisted intramolecular charge transfer excited state, based on its energy, shape and solvent dependence. The experimental results are strongly supported by a theoretical study on one representative compound. The DFT/TD-DFT calculations demonstrate that the initial excited state relaxes toward a twisted structure.
authors.affiliation: Synthèse et Réactivité en Chimie Organique, Département de Chimie Moléculaire, UMR 5250, ICMG FR-2607, Université Joseph Fourier, Grenoble, France.
authors.forename: Jérôme
authors.initials: J
authors.lastname: Jacq
authors.forename: Svetlana
authors.initials: S
authors.lastname: Tsekhanovich
authors.forename: Maylis
authors.initials: M
authors.lastname: Orio
authors.forename: Cathy
authors.initials: C
authors.lastname: Einhorn
authors.forename: Jacques
authors.initials: J
authors.lastname: Einhorn
authors.forename: Bernard
authors.initials: B
authors.lastname: Bessières
authors.forename: Jérôme
authors.initials: J
authors.lastname: Chauvin
authors.forename: Damien
authors.initials: D
authors.lastname: Jouvenot
authors.forename: Frédérique
authors.initials: F
authors.lastname: Loiseau