1,1 '-Bis(diphenylphosphino)ferrocene bridging two mono(cyclopentadienyl) cobalt moieties: Synthesis, structure, electrochemistry and DFT studies

Vitor Rosa, Sara Realista, Ana C. Mourato, Luísa Maria Abrantes, João Henriques, Maria José Calhorda, Maria Teresa Avilés, Michael G B Drew, Vitor Félix

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Reaction of [Co(eta(5)-C5H5)(CO)(2)], 1, with 1,1'-bis(diphenylphosphino)ferrocene (dppf) yields the new trinuclear complex [Co(eta(5)-C5H5)(CO)](2)(mu-dppf), 2, which was structurally characterised by single crystal X-ray diffraction and showed two Co(eta(5)-C5H5)(CO) moieties covalently linked by a dppf bridge. Electrochemical studies in dichloromethane revealed that both Co(I) and Fe(II) in the precursors were oxidized to Co(II)/Co(III) and Fe(III), respectively. On the other hand, in 2 the two first oxidation waves were assigned to Co, the Fe(II) centre requiring a higher potential than in free dppf. DFT calculations showed that the HOMOs of 2 were localised in the Co fragments, owing to the destabilisation of the Co(eta(5)-C5H5)(CO) orbitals after binding dppf. (C) 2012 Elsevier B.V. All rights reserved.
Original languageEnglish
Pages (from-to)52-56
Number of pages5
JournalJournal Of Organometallic Chemistry
Volume712
DOIs
Publication statusPublished - 1 Jan 2012

Keywords

  • Cobalt (I) complexes
  • DFT
  • dppf ligand
  • Electrochemistry
  • Single crystal X-ray diffraction

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