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

C. Hierlinger (1) , H.V. Flint (2) , D.B. Cordes (3) , A.M.Z. Slawin (3) , E.A. Gibson (2) , D. Jacquemin (4) , V. Guerchais (1) , E. Zysman-Colman (3)

1 ISCR - Institut des Sciences Chimiques de Rennes
2 Newcastle University [Newcastle]
3 University of St Andrews [Scotland]
4 CEISAM - Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation

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 (dtBubnpy, 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.

Keywords: DSSC; Iridium; NIR emission; Panchromatic; Solar cell

Domains: Chemical Sciences

C. Hierlinger, H.V. Flint, D.B. Cordes, A.M.Z. Slawin, E.A. Gibson, et al.. A panchromatic, near infrared Ir(III) emitter bearing a tripodal C^N^C ligand as a dye for dye-sensitized solar cells. Polyhedron, 2018, 140, pp.109-115. ⟨10.1016/j.poly.2017.12.003⟩. ⟨hal-01695563⟩