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dc.contributor.authorPowers, David Charles
dc.contributor.authorLee, Eunsung
dc.contributor.authorAriafard, Alireza
dc.contributor.authorSanford, Melanie S.
dc.contributor.authorYates, Brian F.
dc.contributor.authorCanty, Allan J.
dc.contributor.authorRitter, Tobias
dc.date.accessioned2013-07-09T16:57:08Z
dc.date.issued2012
dc.identifier.citationPowers, David C., Eunsung Lee, Alireza Ariafard, Melanie S. Sanford, Brian F. Yates, Allan J. Canty, and Tobias Ritter. 2012. Connecting binuclear Pd(III) and mononuclear Pd(IV) chemistry by Pd–Pd bond cleavage. Journal of the American Chemical Society 134 (29): 12002-12009en_US
dc.identifier.issn0002-7863en_US
dc.identifier.urihttp://nrs.harvard.edu/urn-3:HUL.InstRepos:10861158
dc.description.abstractOxidation of binuclear Pd(II) complexes with PhICl\(_2\) or PhI(OAc)\(_2\) has previously been shown to afford binuclear Pd(III) complexes featuring a Pd–Pd bond. In contrast, oxidation of binuclear Pd(II) complexes with electrophilic trifluoromethylating (“CF\(_3^+\)”) reagents has been reported to afford mononuclear Pd(IV) complexes. Herein, we report experimental and computational studies of the oxidation of a binuclear Pd(II) complex with “CF\(_3^+\)” reagents. These studies suggest that a mononuclear Pd(IV) complex is generated by an oxidation–fragmentation sequence proceeding via fragmentation of an initially formed, formally binuclear Pd(III), intermediate. The observation that binuclear Pd(III) and mononuclear Pd(IV) complexes are accessible in the same reactions offers an opportunity for understanding the role of nuclearity in both oxidation and subsequent C–X bond-forming reactions.en_US
dc.description.sponsorshipChemistry and Chemical Biologyen_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofdoi:10.1021/ja304401uen_US
dash.licenseOAP
dc.subjectforming reductive eliminationen_US
dc.subjecteffective core potentialsen_US
dc.subjectbidentate nitrogen ligandsen_US
dc.subjectC-H activationen_US
dc.subjectpalladium(IV) complexesen_US
dc.subjectoxidative additionen_US
dc.subjectbasis-setsen_US
dc.subjectelectrophilic trifluoromethylationen_US
dc.subjectmolecular calculationsen_US
dc.subjectpolarization functionsen_US
dc.titleConnecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd–Pd Bond Cleavageen_US
dc.typeJournal Articleen_US
dc.description.versionAccepted Manuscripten_US
dc.relation.journalJournal of the American Chemical Societyen_US
dash.depositing.authorRitter, Tobias
dc.date.available2013-07-09T16:57:08Z
dc.identifier.doi10.1021/ja304401u*
dash.contributor.affiliatedPowers, David Charles
dash.contributor.affiliatedRitter, Tobias


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