F-CN Bond Cleavage by Iron Silyl Complex and Electronic Effect of the Group or Atom Attached to Cyano Group : A Theoretical DFT Study

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<jats:title>Abstract</jats:title> <jats:p>The cleavage of F–CN bond in the presence of Fe(II) silyl complex, [Cp(CO)FeSiMe3], was studied using density functional theory calculations and compared with the mechanisms for E–CN (E = C, N, and O) bond cleavages, which have previously been clarified to be a silyl-migration-induced reaction.</jats:p>

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