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dc.contributor.authorDaley, Ryan A.
dc.contributor.authorMorrenzin, Aaron S.
dc.contributor.authorNeufeldt, Sharon R.
dc.contributor.authorTopczewski, Joseph J.
dc.date.accessioned2022-09-26T21:06:41Z
dc.date.available2022-09-26T21:06:41Z
dc.date.issued2021-07
dc.identifier.citationDaley, R. A., Morrenzin, A. S., Neufeldt, S. R., & Topczewski, J. J. (2021). Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes. ACS Catalysis, 11(15), 9578-9587.en_US
dc.identifier.issn2155-5435
dc.identifier.urihttps://scholarworks.montana.edu/xmlui/handle/1/17230
dc.descriptionThis document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in ACS Catalysis, copyright © American Chemical Society after peer review. To access the final edited and published work see https://doi.org/10.1021/acscatal.1c01631en_US
dc.description.abstractWhile many gold catalyzed reactions have been thoroughly developed, most are not thought to involve redox events at gold. In contrast, recent advances have demonstrated the feasibility of redox gold catalysis. This report describes a detailed mechanistic investigation of the gold catalyzed decarboxylative cross-coupling, which likely proceeds via a high valent Au(I/III) pathway. This investigation includes a kinetic analysis, stoichiometric experiments with Au(III) complexes, and DFT calculations. These data support a turnover limiting oxidative addition to form an Au(III) aryl complex, with an off cycle resting state. The dominant pathway appears to proceed through a silver mediated decarboxylation with a subsequent Ag(I) to Au(III) transmetalation. These data provide some rationale for the significant counterion effects between SbF6– and NTf2– and may explain why MeDalphos is not a superior ligand for the catalytic reaction.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.rightscopyright American Chemical Society 2021en_US
dc.rights.urihttp://web.archive.org/web/20190502075603/http://pubs.acs.org/paragonplus/copyright/jpa_form_a.pdfen_US
dc.subjectmechanismen_US
dc.subjectkineticsen_US
dc.subjectdensity functional theoryen_US
dc.subjectgolden_US
dc.subjectdecarboxylationen_US
dc.subjectcross-couplingen_US
dc.titleMechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenesen_US
dc.typeArticleen_US
mus.citation.extentfirstpage1en_US
mus.citation.extentlastpage11en_US
mus.citation.issue15en_US
mus.citation.journaltitleACS Catalysisen_US
mus.citation.volume11en_US
mus.identifier.doi10.1021/acscatal.1c01631en_US
mus.relation.collegeCollege of Letters & Scienceen_US
mus.relation.departmentChemistry & Biochemistry.en_US
mus.relation.universityMontana State University - Bozemanen_US


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