Electronic structure of the [Tris(dithiolene)chromium]z (z = 0, 1-, 2-, 3-) electron transfer series and their manganese(IV) analogues. An X-ray absorption spectroscopic and density functional theoretical study

Banerjee, P., Sproules, S. , Weyhermüller, T., DeBeer George, S. and Wieghardt, K. (2009) Electronic structure of the [Tris(dithiolene)chromium]z (z = 0, 1-, 2-, 3-) electron transfer series and their manganese(IV) analogues. An X-ray absorption spectroscopic and density functional theoretical study. Inorganic Chemistry, 48(13), pp. 5829-5847. (doi: 10.1021/ic900154v)

Abstract

Three members of the electron transfer series [CrIII(dithiolene)3]z (z = 1−, 2−, 3−) along with [MnIV(dithiolene)3]2− analogues are shown to possess Cr(III) and Mn(IV) ions, respectively, by X-ray absorption spectroscopy (Cr and Mn K-edges). S K-edge spectra show the Cr series to be linked by ligand-based redox processes. All complexes are octahedral with DFT calculations reproducing the molecular structures and spectroscopic parameters such that [Cr(dithiolene)3]0 is predicted to be and octahedral with three S,S′-coordinated radical ligands.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Sproules, Dr Stephen
• Authors: Banerjee, P., Sproules, S., Weyhermüller, T., DeBeer George, S., and Wieghardt, K.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Inorganic Chemistry
• Publisher: American Chemical Society
• ISSN: 0020-1669
• ISSN (Online): 1520-510X