posted on 2005-11-28, 00:00authored byMathivathani Kandiah, G. Sean McGrady, Andreas Decken, Peter Sirsch
Reduction of [(triphos)NiCl<sub>2</sub>] (<b>1</b>) with an excess of NaBH<sub>4</sub> in THF
produces the paramagnetic Ni(I) complex [(triphos)Ni(η<sup>2</sup>-BH<sub>4</sub>)] (<b>2</b>).
X-ray crystallography shows <b>1</b> to be a square-planar Ni(II) species
in which the phosphine ligand is bidentate, whereas <b>2</b> has
<i>pseudo</i>tetrahedral 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 <b>2</b> to reside in an orbital located mainly on the Ni atom.