The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetic and computational study

Truscott, Byron; Kruger, Hedi; Webb, Paul Brian; Buehl, Michael; Nolan, Steven Patrick

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dc.contributor.author	Truscott, Byron
dc.contributor.author	Kruger, Hedi
dc.contributor.author	Webb, Paul Brian
dc.contributor.author	Buehl, Michael
dc.contributor.author	Nolan, Steven Patrick
dc.date.accessioned	2016-03-20T00:01:33Z
dc.date.available	2016-03-20T00:01:33Z
dc.date.issued	2015
dc.identifier.citation	Truscott , B , Kruger , H , Webb , P B , Buehl , M & Nolan , S P 2015 , ' The mechanism of CO 2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetic and computational study ' , Chemistry - A European Journal . https://doi.org/10.1002/chem.201406509	en
dc.identifier.issn	0947-6539
dc.identifier.other	PURE: 170683009
dc.identifier.other	PURE UUID: a8cbd434-58d7-4dad-918d-35d50258864a
dc.identifier.other	ORCID: /0000-0002-1095-7143/work/48131821
dc.identifier.other	WOS: 000353351300038
dc.identifier.other	ORCID: /0000-0003-2532-344X/work/67167775
dc.identifier.other	Scopus: 84927670005
dc.identifier.uri	https://hdl.handle.net/10023/8441
dc.description	The ERC (Advanced Researcher Award FUNCAT to SPN), the EPSRC and Sasol technology (Stipend to BJT) are gratefully acknowledged for support. Umicore AG are thanked for their generous gift of materials. SPN is a Royal Society Wolfson Award holder. PBW holds a Royal Society Industry Fellowship.	en
dc.description.abstract	The facile insertion of CO2 into iridium(I) hydroxide, alkoxide, and amide bonds was recently reported. In particular, [Ir(cod)(IiPr)(OH)] (IiPr=1,3-bis(isopropyl)imidazol-2-ylidene) reacted with CO2 in solution and in the solid state in a matter of minutes to give the novel [{Ir(cod)(IiPr)}2(μ-κ1O:κ2O,O-CO3)] complex. In the present study, this reaction is probed using kinetics and theoretical studies, which enabled us to analyse its facile nature and to fully elucidate the reaction mechanism with excellent correlation between the two methods
dc.language.iso	eng
dc.relation.ispartof	Chemistry - A European Journal	en
dc.rights	Copyright 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is the accepted version of the following article: Truscott, B. J., Kruger, H., Webb, P. B., Bühl, M. and Nolan, S. P. (2015), The Mechanism of CO2 Insertion into Iridium(I) Hydroxide and Alkoxide Bonds: A Kinetics and Computational Study. Chem. Eur. J., which has been published in final form at: http://onlinelibrary.wiley.com/doi/10.1002/chem.201406509/abstract	en
dc.subject	Carbon dioxide	en
dc.subject	Iridium	en
dc.subject	Mechanistic study	en
dc.subject	Kinetic	en
dc.subject	DFT	en
dc.subject	Thermodynamic	en
dc.subject	QD Chemistry	en
dc.subject	NDAS	en
dc.subject.lcc	QD	en
dc.title	The mechanism of CO2 insertion into iridium(I) hydroxide and alkoxide bonds : a kinetic and computational study	en
dc.type	Journal article	en
dc.contributor.sponsor	European Research Council	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/10.1002/chem.201406509
dc.description.status	Peer reviewed	en
dc.date.embargoedUntil	2016-03-20
dc.identifier.url	http://onlinelibrary.wiley.com/doi/10.1002/chem.201406509/suppinfo	en
dc.identifier.grantnumber	FP7-227817 FUNCAT	en

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