TY - JOUR
T1 - New cyclometalated iridium(III) dye chromophore complexes for n-type dye-sensitised solar cells
AU - Sinopoli, Alessandro
AU - Wood, Christopher J.
AU - Gibson, Elizabeth A.
AU - Elliott, Paul I P
PY - 2017/3/1
Y1 - 2017/3/1
N2 - 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.
AB - 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.
KW - Cyclometalated iridium(III) complexes
KW - DSSC
KW - Sensitizers
KW - Triazole
UR - http://www.scopus.com/inward/record.url?scp=85006761388&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2016.12.003
DO - 10.1016/j.ica.2016.12.003
M3 - Article
AN - SCOPUS:85006761388
VL - 457
SP - 81
EP - 89
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
SN - 0020-1693
ER -
