Synthesis and molecular and electronic structure of an unusual paramagnetic borohydride complex Mo(NAr)2(PMe3)22-BH4)

Andrey Y. Khalimon, Jason P. Holland, Radoslaw M. Kowalczyk, Eric J.L. McInnes, Jennifer C. Green, Philip Mountford, Georgii I. Nikonov

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8 Citations (Scopus)

Abstract

Reaction of Mo(NAr)2Cl2(DME) (Ar = 2,6-C 6H3iPr2, DME = 1,2-dimethoxyethane) with NaBH4 and PMe3 in THF formed the paramagnetic Mo(V) d1 borohydride complex Mo(NAr)2(PMe3) 22-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 σ-only, 2-electron donor.

Original languageEnglish
Pages (from-to)999-1006
Number of pages8
JournalInorganic Chemistry
Volume47
Issue number3
DOIs
Publication statusPublished - Feb 4 2008

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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    Khalimon, A. Y., Holland, J. P., Kowalczyk, R. M., McInnes, E. J. L., Green, J. C., Mountford, P., & Nikonov, G. I. (2008). Synthesis and molecular and electronic structure of an unusual paramagnetic borohydride complex Mo(NAr)2(PMe3)22-BH4). Inorganic Chemistry, 47(3), 999-1006. https://doi.org/10.1021/ic701826v