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

Research output: Contribution to journalArticle

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
Externally publishedYes

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Borohydrides
borohydrides
Molecular structure
Electronic structure
molecular structure
electronic structure
Molybdenum
synthesis
X ray diffraction analysis
Intermetallics
molybdenum
Density functional theory
intermetallics
Paramagnetic resonance
Metals
Spectroscopy
density functional theory
Ligands
valence
ligands

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

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

Synthesis and molecular and electronic structure of an unusual paramagnetic borohydride complex Mo(NAr)2(PMe3)22-BH4). / Khalimon, Andrey Y.; Holland, Jason P.; Kowalczyk, Radoslaw M.; McInnes, Eric J L; Green, Jennifer C.; Mountford, Philip; Nikonov, Georgii I.

In: Inorganic Chemistry, Vol. 47, No. 3, 04.02.2008, p. 999-1006.

Research output: Contribution to journalArticle

Khalimon, AY, Holland, JP, Kowalczyk, RM, McInnes, EJL, Green, JC, Mountford, P & Nikonov, GI 2008, 'Synthesis and molecular and electronic structure of an unusual paramagnetic borohydride complex Mo(NAr)2(PMe3)22-BH4)', Inorganic Chemistry, vol. 47, no. 3, pp. 999-1006. https://doi.org/10.1021/ic701826v
Khalimon, Andrey Y. ; Holland, Jason P. ; Kowalczyk, Radoslaw M. ; McInnes, Eric J L ; Green, Jennifer C. ; Mountford, Philip ; Nikonov, Georgii I. / Synthesis and molecular and electronic structure of an unusual paramagnetic borohydride complex Mo(NAr)2(PMe3)22-BH4). In: Inorganic Chemistry. 2008 ; Vol. 47, No. 3. pp. 999-1006.
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