Please use this identifier to cite or link to this item: https://doi.org/10.1021/ja4123285
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dc.titleStabilization of a Cobalt Cobalt Bond by Two Cyclic Alkyl Amino Carbenes
dc.contributor.authorMondal, Kartik Chandra
dc.contributor.authorSamuel, Prinson P
dc.contributor.authorRoesky, Herbert W
dc.contributor.authorCarl, Elena
dc.contributor.authorHerbst-Irmer, Regine
dc.contributor.authorStalke, Dietmar
dc.contributor.authorSchwederski, Brigitte
dc.contributor.authorKaim, Wolfgang
dc.contributor.authorUngur, Liviu
dc.contributor.authorChibotaru, Liviu F
dc.contributor.authorHermann, Markus
dc.contributor.authorFrenking, Gernot
dc.date.accessioned2022-07-15T08:35:57Z
dc.date.available2022-07-15T08:35:57Z
dc.date.issued2014-02-05
dc.identifier.citationMondal, Kartik Chandra, Samuel, Prinson P, Roesky, Herbert W, Carl, Elena, Herbst-Irmer, Regine, Stalke, Dietmar, Schwederski, Brigitte, Kaim, Wolfgang, Ungur, Liviu, Chibotaru, Liviu F, Hermann, Markus, Frenking, Gernot (2014-02-05). Stabilization of a Cobalt Cobalt Bond by Two Cyclic Alkyl Amino Carbenes. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 (5) : 1770-1773. ScholarBank@NUS Repository. https://doi.org/10.1021/ja4123285
dc.identifier.issn0002-7863
dc.identifier.issn1520-5126
dc.identifier.urihttps://scholarbank.nus.edu.sg/handle/10635/228694
dc.description.abstract(Me2-cAAC:)2Co2 (2, where Me 2-cAAC: = cyclic alkyl amino carbene,:C(CH2)(CMe 2)2N-2,6-iPr2C6H3)) was synthesized via the reduction of precursor (Me2-cAAC:Co II(μ-Cl)Cl)2 (1) with KC8. 2 contains two cobalt atoms in the formal oxidation state zero. Magnetic measurement revealed that 2 has a singlet spin ground state S = 0. The cyclic voltammogram of 2 exhibits both one-electron oxidation and reduction, indicating the possible synthesis of stable species containing 2•- and 2 •+ ions. The latter was synthesized via reduction of 1 with required equivalents of KC8 and characterized as [(Me 2-cAAC:)2Co2]•+OTf- (2•+OTf-). Electron paramagnetic resonance spectroscopy of 2•+ reveals the coupling of the electron spin with 2 equiv 59Co isotopes, leading to a (Co0.5) 2 state. The experimental Co1-Co2 bond distances are 2.6550(6) and 2.4610(6) Å for 2 and 2•+OTf-, respectively. Theoretical investigation revealed that both 2 and 2•+OTf - possess a Co-Co bond with an average value of 2.585 Å. A slight increase of the Co-Co bond length in 2 is more likely to be caused by the strong π-accepting property of cAAC. 2•+ is only 0.8 kcal/mol higher in energy than the energy minimum. The shortening of the Co-Co bond of 2•+ is caused by intermolecular interactions. © 2014 American Chemical Society.
dc.language.isoen
dc.publisherAMER CHEMICAL SOC
dc.sourceElements
dc.subjectScience & Technology
dc.subjectPhysical Sciences
dc.subjectChemistry, Multidisciplinary
dc.subjectChemistry
dc.subjectCOMPLEXES
dc.subjectCYCLOPROPANATION
dc.subjectINTERMEDIATE
dc.subjectACTIVATION
dc.subjectCHLORIDES
dc.subjectADDUCTS
dc.subjectLIGAND
dc.subjectDIMER
dc.subjectARYL
dc.subjectIRON
dc.typeArticle
dc.date.updated2022-07-15T02:11:27Z
dc.contributor.departmentDEPT OF CHEMISTRY
dc.description.doi10.1021/ja4123285
dc.description.sourcetitleJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
dc.description.volume136
dc.description.issue5
dc.description.page1770-1773
dc.published.statePublished
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