Khalimon Andrey Y, Holland Jason P, Kowalczyk Radoslaw M, McInnes Eric J L, Green Jennifer C, Mountford Philip, Nikonov Georgii I
Chemistry Department, Brock University, Glenridge Ave. 500, St Catharines, ON L2S3A1, Canada.
Inorg Chem. 2008 Feb 4;47(3):999-1006. doi: 10.1021/ic701826v. Epub 2008 Jan 4.
Reaction of Mo(NAr)2Cl2(DME) (Ar=2,6-C6H3iPr2, DME=1,2-dimethoxyethane) with NaBH4 and PMe3 in THF formed the paramagnetic Mo(V) d1 borohydride complex Mo(NAr)2(PMe3)2(eta2-BH4) (1). Compound 1, which was characterized by EPR spectroscopy and X-ray diffraction analysis, provides a rare example both of a paramagnetic bis(imido) group 6 compound and a structurally characterized molybdenum borohydride complex. Density functional theory calculations were used to determine the electronic structure and bonding parameters of 1 and showed that it is best viewed as a 19 valence electron compound (having a primarily metal-based SOMO) in which the BH4- ligand behaves as a sigma-only, 2-electron donor.
