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New cyclometalated iridium(III) dye chromophore complexes for n-type dye-sensitised solar cells

Lookup NU author(s): Chris Wood, Professor Elizabeth GibsonORCiD



This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License (CC BY-NC-ND).


The synthesis of seven iridium complexes where aryl-1,2,3-triazole (Ar-tz) moieties act as cyclometalating ligands with 2,2′-bipyridyl-4,4′-dicarboxylic acid (dcb) as a N^N ancillary/anchoring ligand, is described. The new dye complexes [Ir(Ar-tz)2(dcb)][PF6] (AS1-7) were prepared in a two stage procedure with iridium-chloride dimer isolation. DFT analysis together with photophysical investigations reveal how using different substituents on the phenyl ring, or a different aryl system, lead to the tuning of the absorption and emission properties of these complexes. Computational studies therefore demonstrate an ideal HOMO-LUMO directionality for the [Ir(Ar-tz)2(dcb)]+ framework, promoting a favourable electron transfer into the TiO2 conduction band upon photoexcitation. Preliminary unoptimized tests on TiO2 DSSCs have been carried out which show similar photovoltaic performance to the [Ir(ppy)2(dcb)][PF6] (ppy = 2-phenylpyridine) benchmark.

Publication metadata

Author(s): Sinopoli A, Wood CJ, Gibson EA, Elliott PIP

Publication type: Article

Publication status: Published

Journal: Inorganica Chimica Acta

Year: 2017

Volume: 457

Pages: 81-89

Print publication date: 01/03/2017

Online publication date: 07/12/2016

Acceptance date: 02/12/2016

Date deposited: 09/12/2016

ISSN (print): 0020-1693

ISSN (electronic): 1873-3255

Publisher: Elsevier


DOI: 10.1016/j.ica.2016.12.003


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Funder referenceFunder name
University of Huddersfield