Electronic structures of homoleptic [Tris(2,2′-bipyridine)M]ncomplexes of the early transition metals (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta;n= 1+, 0, 1–, 2–, 3−): an experimental and density functional theoretical study

Bowman, A. C., England, J., Sproules, S. , Weyhermüller, T. and Wieghardt, K. (2013) Electronic structures of homoleptic [Tris(2,2′-bipyridine)M]ncomplexes of the early transition metals (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta;n= 1+, 0, 1–, 2–, 3−): an experimental and density functional theoretical study. Inorganic Chemistry, 52(4), pp. 2242-2256. (doi:10.1021/ic302799s)

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Abstract

The electron transfer series [M(bpy)3]n+ (M = Y, Ti, Zr, Hf, V, Nb, Ta; n = 1+ to 3-) has long been known, but the electronic structures of their members remain unclear. In response, we have augmented the published spectroscopic data with our own, and performed DFT calculations to rationalize it all. This has allowed definitive assignment of their electronic structures and provided evidence that all the redox processes are largely ligand centered.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Sproules, Dr Stephen
Authors: Bowman, A. C., England, J., Sproules, S., Weyhermüller, T., and Wieghardt, K.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Inorganic Chemistry
Publisher:American Society for Microbiology
ISSN:0020-1669
ISSN (Online):1520-510X

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