A panchromatic, near infrared Ir(III) emitter bearing a tripodal C^N^C ligand as a dye for dye-sensitized solar cells. (8th February 2018)

• Record Type: Journal Article
• Authors: Hierlinger, Claus; Flint, Heather V.; Cordes, David B.; Slawin, Alexandra M.Z.; Gibson, Elizabeth A.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli
• Is Part Of: Polyhedron. Volume 140(2018)
• Page Start: 109
• Page End: 115
• Publication Date: 2018-02-08
• Subjects: Iridium -- Panchromatic -- NIR emission -- DSSC -- Solar cell; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2017.12.003
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: A panchromatic absorbing, NIR emitting neutral iridium complexes bearing a tripodal 2-(bis(4-( tert -butyl)phenyl)methyl)pyridinato (d t Bubnpy) ligand, a bidentate diethyl [2, 2′-bipyridine]-4, 4′-dicarboxylate (deeb) ligand and a chloro ligand is reported. This complex was used as a dye in a dye-sensitized solar cell. Abstract: The synthesis of a new complex of the form [Ir(C^N^C)(N^N)Cl] [where C^N^C = 2-(bis(4-( tert -butyl)phenyl)methyl)pyridinato (d t Bubnpy, L1 ) and N^N is diethyl [2, 2′-bipyridine-4, 4′-dicarboxylate (deeb)] is reported. The crystal structure reveals an unusual tripodal tridentate C^N^C ligand forming three six-membered rings around the iridium center. The photophysical and electrochemical properties suggest the use of this complex as a dye in dye-sensitized solar cells. Time-Dependent Density Functional Theory (TD-DFT) calculations have been used to reveal the nature of the excited-states.