posted on 2005-11-28, 00:00authored byMathivathani Kandiah, G. Sean McGrady, Andreas Decken, Peter Sirsch
Reduction of [(triphos)NiCl2] (1) with an excess of NaBH4 in THF
produces the paramagnetic Ni(I) complex [(triphos)Ni(η2-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.