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Synthesis and Crystal Structure of Anionic Zirconium(II) Intermediate for Carbon-carbon Coupling: Li[Cp_2Zr(C≡CPh)(η~2∶1,2-PhC_2C≡CPh)]

The unexpected anionic Zr(Ⅱ) complex [Cp 2Zr(C≡CPh)( η 2: 1,2 PhC 2C≡CPh)] - was isolated from LiC≡CPh and Cp 2ZrCl 2 in THF, giving clear evidence for a C-C coupling between two alkynyl moieties, one of them being η 2 bonded to the zirconium atom. The complex was characterized by elemental analysis, NMR, IR spectroscopy and X ray diffraction. The synthesis reaction mechanism was discussed.