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

Hierlinger, Claus; Flint, Heather V.; Cordes, David B.; Slawin, Alexandra M. Z.; Gibson, Elizabeth A.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli

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dc.contributor.author	Hierlinger, Claus
dc.contributor.author	Flint, Heather V.
dc.contributor.author	Cordes, David B.
dc.contributor.author	Slawin, Alexandra M. Z.
dc.contributor.author	Gibson, Elizabeth A.
dc.contributor.author	Jacquemin, Denis
dc.contributor.author	Guerchais, Véronique
dc.contributor.author	Zysman-Colman, Eli
dc.date.accessioned	2018-12-10T09:37:25Z
dc.date.available	2018-12-10T09:37:25Z
dc.date.issued	2018-02-08
dc.identifier.citation	Hierlinger , C , Flint , H V , Cordes , D B , Slawin , A M Z , Gibson , E A , Jacquemin , D , Guerchais , V & Zysman-Colman , E 2018 , ' A panchromatic, near infrared Ir(III) emitter bearing a tripodal C^N^C ligand as a dye for dye-sensitized solar cells ' , Polyhedron , vol. 140 , pp. 109-115 . https://doi.org/10.1016/j.poly.2017.12.003	en
dc.identifier.issn	0277-5387
dc.identifier.other	PURE: 251685739
dc.identifier.other	PURE UUID: 4ea20f1f-308f-4b00-b43d-6ed909702065
dc.identifier.other	Scopus: 85038936823
dc.identifier.other	ORCID: /0000-0002-5366-9168/work/39714958
dc.identifier.other	ORCID: /0000-0001-7183-6022/work/56639099
dc.identifier.other	ORCID: /0000-0002-9527-6418/work/56861740
dc.identifier.other	WOS: 000424185400014
dc.identifier.uri	http://hdl.handle.net/10023/16649
dc.description	C.H. acknowledges the Région Bretagne, France for funding. EZ-C acknowledges the University of St Andrews and EPSRC (EP/M02105X/1) for financial support. EAG and HVF thank the ERC for a Starting Grant (p-TYPE, 715354).	en
dc.description.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 (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.
dc.language.iso	eng
dc.relation.ispartof	Polyhedron	en
dc.rights	© 2017 Elsevier Ltd. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1016/j.poly.2017.12.003	en
dc.subject	Iridium	en
dc.subject	Panchromatic	en
dc.subject	NIR emission	en
dc.subject	DSSC	en
dc.subject	Solar cell	en
dc.subject	QD Chemistry	en
dc.subject	NDAS	en
dc.subject.lcc	QD	en
dc.title	A panchromatic, near infrared Ir(III) emitter bearing a tripodal C^N^C ligand as a dye for dye-sensitized solar cells	en
dc.type	Journal article	en
dc.contributor.sponsor	EPSRC	en
dc.description.version	Postprint	en
dc.contributor.institution	University of St Andrews. School of Chemistry	en
dc.contributor.institution	University of St Andrews. EaSTCHEM	en
dc.identifier.doi	https://doi.org/10.1016/j.poly.2017.12.003
dc.description.status	Peer reviewed	en
dc.date.embargoedUntil	2018-12-09
dc.identifier.grantnumber	EP/M02105X/1	en

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