An experimental and computational study on intramolecular charge transfer: a tetrathiafulvalene-fused dipyridophenazine molecule.
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.
Jia
Chunyang
C
Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, 3012 Bern, Switzerland.
Liu
Shi-Xia
SX
Tanner
Christian
C
Leiggener
Claudia
C
Neels
Antonia
A
Sanguinet
Lionel
L
Levillain
Eric
E
Leutwyler
Samuel
S
Hauser
Andreas
A
Decurtins
Silvio
S
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
D006571:Heterocyclic Compounds; D006576:Heterocyclic Compounds, 4 or More Rings; D010619:Phenazines; C521213:tetrathiafulvalene-dipyridophenazine; C063887:tetrathiafulvalene