A Combined Mössbauer, Magnetic Circular Dichroism, and Density Functional Theory Approach for Iron Cross-Coupling Catalysis: Electronic Structure, In Situ Formation, and Reactivity of Iron-Mesityl-Bisphosphines

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Daifuku, Stephanie L.; Al-Afyouni, Malik H.; E. R. Snyder, Benjamin; Kneebone, Jared L.; Neidig, Michael L.;
(2014)
  • Publisher: Figshare
  • Related identifiers: doi: 10.1021/ja503596m.s003, doi: 10.1021/ja503596m.s004, doi: 10.1021/ja503596m.s005, doi: 10.1021/ja503596m.s002
  • Subject: Molecular Biology | Mo | catalysi | Sociology | reaction protocol details | MCD | Density Functional Theory Approach | insight | Evolutionary Biology | DFT | catalyst | alkyl halides | species | Biochemistry | mechanism | Biophysics | Grignard addition method
    • FOR: 110309 Infectious Diseases | 69999 Biological Sciences not elsewhere classified | 39999 Chemical Sciences not elsewhere classified

While iron-bisphosphines have emerged as effective catalysts for C–C cross-coupling, the nature of the in situ formed iron species, elucidation of the active catalysts and the mechanisms of catalysis have remained elusive. A combination of <sup>57</sup>Fe Mo... View more
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