title: Anti-Kasha's rule fluorescence emission in (2-ferrocenyl)indene generated by a twisted intramolecular charge-transfer (TICT) process.
abstract: A twisted intramolecular charge-transfer (TICT) process has been identified in (2-ferrocenyl)indene. This photochemical process explains the anti-Kasha's rule fluorescence emission observed for this system. Experimental and model investigations on (2-ferrocenyl)tetramethylindene and (2-ferrocenyl)-hexamethylindene were also performed, in order to evaluate the effect of a steric hindrance on the TICT mechanism. The energy of the lowest main excited states was computed with a TD-DFT approach, as a function of the rotation of the dihedral angle between the indene and the cyclopentadienyl planes. To the best of our knowledge, this is the first example of TICT generated by metal-to-ligand charge transfer (MLCT) in a ferrocene-containing complex and, more generally, the first case of complexes in which a metal center is directly involved.
authors.affiliation: Department of Chemical Sciences, University of Padua, Via Marzolo 1, I-I-35131 Padua, Italy.
authors.forename: Stefano
authors.initials: S
authors.lastname: Scuppa
authors.forename: Laura
authors.initials: L
authors.lastname: Orian
authors.forename: Alessandro
authors.initials: A
authors.lastname: Donoli
authors.forename: Saverio
authors.initials: S
authors.lastname: Santi
authors.forename: Moreno
authors.initials: M
authors.lastname: Meneghetti
mesh_terms: D005453:Fluorescence; D007192:Indenes / Q000737:chemistry*; D015394:Molecular Structure; D055668:Photochemical Processes; D011789:Quantum Theory
chemical_list: D007192:Indenes