title: An experimental and computational study on intramolecular charge transfer: a tetrathiafulvalene-fused dipyridophenazine molecule.
abstract: To study the electronic interactions in donor-acceptor (D-A) ensembles, D and A fragments are coupled in a single molecule. Specifically, a tetrathiafulvalene (TTF)-fused dipyrido[3,2-a:2',3'-c]phenazine (dppz) compound having inherent redox centers has been synthesized and structurally characterized. Its electronic absorption, fluorescence emission, photoinduced intramolecular charge transfer, and electrochemical behavior have been investigated. The observed electronic properties are explained on the basis of density functional theory.
authors.affiliation: Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, 3012 Bern, Switzerland.
authors.forename: Chunyang
authors.initials: C
authors.lastname: Jia
authors.forename: Shi-Xia
authors.initials: SX
authors.lastname: Liu
authors.forename: Christian
authors.initials: C
authors.lastname: Tanner
authors.forename: Claudia
authors.initials: C
authors.lastname: Leiggener
authors.forename: Antonia
authors.initials: A
authors.lastname: Neels
authors.forename: Lionel
authors.initials: L
authors.lastname: Sanguinet
authors.forename: Eric
authors.initials: E
authors.lastname: Levillain
authors.forename: Samuel
authors.initials: S
authors.lastname: Leutwyler
authors.forename: Andreas
authors.initials: A
authors.lastname: Hauser
authors.forename: Silvio
authors.initials: S
authors.lastname: Decurtins
mesh_terms: D003198:Computer Simulation; D006571:Heterocyclic Compounds / Q000737:chemistry*; D006576:Heterocyclic Compounds, 4 or More Rings / Q000138:chemical synthesis* / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D010619:Phenazines / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D006571:Heterocyclic Compounds; D006576:Heterocyclic Compounds, 4 or More Rings; D010619:Phenazines; C521213:tetrathiafulvalene-dipyridophenazine; C063887:tetrathiafulvalene