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Issue 7, 2018
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[(Cp2M)2B9H11] (M = Zr or Hf): early transition metal ‘guarded’ heptaborane with strong covalent and electrostatic bonding

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Abstract

Among the series of stable closo-borate dianions, [BnHn]2−, the X-ray crystallographic structure of [B7H7]2− was determined only in 2011. To explore its chemistry and stability, we have isolated and structurally characterized two new transition metal complexes of the heptaborane, [(Cp2M)2B9H11] (Cp = η5-C5H5; M = Zr or Hf). The structures of [(Cp2M)2B9H11] contain a pentagonal bipyramidal B7 core, coordinated by two {Cp2M} and two {BH2} units equatorially. Structural and spectroscopic characterizations and DFT calculations show that [(Cp2M)2B9H11] complexes are substantially more stable than the parent dianion, in either [B7H7]2− or (nBu4N)2[B7H7]. Our theoretical study and chemical bonding analyses reveal that the surprising stability of the two new heptaborane metal complexes is due to multi-center covalent bonds related to the two exo-{Cp2M} units, as well as electrostatic interactions between the {Cp2M} units and the B7 core. The facile syntheses of the heptaborane metal-complexes will allow further exploration of their chemistry.

Graphical abstract: [(Cp2M)2B9H11] (M = Zr or Hf): early transition metal ‘guarded’ heptaborane with strong covalent and electrostatic bonding

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Publication details

The article was received on 22 Nov 2017, accepted on 10 Jan 2018 and first published on 11 Jan 2018


Article type: Edge Article
DOI: 10.1039/C7SC05014C
Citation: Chem. Sci., 2018,9, 1976-1981
  • Open access: Creative Commons BY-NC license
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    [(Cp2M)2B9H11] (M = Zr or Hf): early transition metal ‘guarded’ heptaborane with strong covalent and electrostatic bonding

    A. De, Q. Zhang, B. Mondal, L. F. Cheung, S. Kar, K. Saha, B. Varghese, L. Wang and S. Ghosh, Chem. Sci., 2018, 9, 1976
    DOI: 10.1039/C7SC05014C

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