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)

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