[(Triphos)Ni(eta2-BH4)]: an unusual nickel(I) borohydride complex

Inorg Chem. 2005 Nov 28;44(24):8650-2. doi: 10.1021/ic051541y.

Abstract

Reduction of [(triphos)NiCl2] (1) with an excess of NaBH4 in THF produces the paramagnetic Ni(I) complex [(triphos)Ni(eta2-BH4)] (2). X-ray crystallography shows 1 to be a square-planar Ni(II) species in which the phosphine ligand is bidentate, whereas 2 has pseudotetrahedral geometry at the Ni(I) center, with a tridentate phosphine and the borohydride ligand occupying a single coordination site. Density functional theory calculations show the unpaired electron in 2 to reside in an orbital located mainly on the Ni atom.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Borohydrides / chemical synthesis
  • Borohydrides / chemistry*
  • Chemistry, Inorganic / methods*
  • Crystallography, X-Ray
  • Magnetic Resonance Spectroscopy
  • Models, Chemical
  • Molecular Structure
  • Nickel / chemistry*

Substances

  • Borohydrides
  • Nickel