title: Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.
abstract: Reactions of 1,1'-bis(dipheny1phosphino)cobaltocene with Co(PMe(3))(4), Ni(PMe(3))(4), Fe(PMe(3))(4), Ni(COD)(2), FeMe(2)(PMe(3))(4) or NiMe(2)(PMe(3))(3) afford a series of novel dinuclear complexes [((Me(3)P)[lower bond 1 start]Co(η(5)-C(5)H(4)[upper bond 1 start]PPh(2)))((Me(3)P)M[upper bond 1 end](η(5)-C(5)H(4)P[lower bond 1 end]Ph(2)))] (M = Co(1), Ni(2) and Fe(3)) [Co(η(5)-C(5)H(4)[upper bond 1 start]PPh(2))(2)Ni[upper bond 1 end](COD)](4), [Co(η(5)-C(5)H(4)[upper bond 1 start]PPh(2))(2)Ni[upper bond 1 end](PMe(3))(2)] (5) and [((Me(3)P)[lower bond 1 start]Co(Me)(η(5)-C(5)H(4)[upper bond 1 start]PPh(2)))((Me(3)P)Fe[upper bond 1 end](Me)(η(5)-C(5)H(4)P[lower bond 1 end]Ph(2)))] (6). Reactions of 1,1'-bis(dipheny1phosphino)ferrocene with Ni(PMe(3))(4), NiMe(2)(PMe(3))(3), or Co(PMe(3))(4) gives rise to complexes [Fe(η(5)-C(5)H(4)[upper bond 1 start]PPh(2))(2)M[upper bond 1 end](PMe(3))(2)] (M = Ni (7), Co (8)). The complexes 1-8 were spectroscopically investigated and studied by X-ray single crystal diffraction. The possible reaction mechanisms and structural characteristics are discussed. Density functional theory (DFT) calculations strongly support the deductions.
authors.affiliation: School of Chemistry and Chemical Engineering, Shandong University, Shanda Nanlu 27, 250100, Jinan, People's Republic of China.
authors.forename: Nazhen
authors.initials: N
authors.lastname: Liu
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Li
authors.forename: Xiaofeng
authors.initials: X
authors.lastname: Xu
authors.forename: Zhiping
authors.initials: Z
authors.lastname: Wang
authors.forename: Hongjian
authors.initials: H
authors.lastname: Sun
mesh_terms: D003035:Cobalt / Q000737:chemistry; D003517:Cyclopentanes / Q000737:chemistry*; D007501:Iron / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D009532:Nickel / Q000737:chemistry; D009942:Organometallic Compounds / Q000737:chemistry*; D010720:Phosphines / Q000737:chemistry; D011789:Quantum Theory; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D003517:Cyclopentanes; D009942:Organometallic Compounds; D010720:Phosphines; D028561:Transition Elements; D003035:Cobalt; D009532:Nickel; D007501:Iron