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Electrochemical Oxidation of [Cr(CO).sub.4./sub.(tmp)] to the Low-Spin Cr(I) Species [Cr(CO).sub.4./sub.(tmp)].sup.+./sup. (tmp=3,4,7,8-tetramethyl-1,10-phenanthroline): An IR,UV-Vis, and EPR Spectroelectrochemical and DFT Computational Study of the Accompanying Changes
- 1.0181188 - UFCH-W 20010102 RIV CH eng J - Journal Article
Farrell, I. R. - Hartl, F. - Záliš, Stanislav - Wanner, M. - Kaim, W. - Vlček, Antonín
Electrochemical Oxidation of [Cr(CO)4(tmp)] to the Low-Spin Cr(I) Species [Cr(CO)4(tmp)]+ (tmp=3,4,7,8-tetramethyl-1,10-phenanthroline): An IR,UV-Vis, and EPR Spectroelectrochemical and DFT Computational Study of the Accompanying Changes.
Inorganica chimica acta. Roč. 318, č. 1 (2001), s. 143-151. ISSN 0020-1693. E-ISSN 1873-3255
R&D Projects: GA MŠMT OC D14.20
Institutional research plan: CEZ:AV0Z4040901
Keywords : carbonyl * chromium * spectroelectrochemistry
Subject RIV: CG - Electrochemistry
Impact factor: 1.394, year: 2001
[Cr(CO)4(tmp)] is elctrochemically ixidized to the corresponding cation vhich was characterized by EPR, IR, and UV-Vis spectroelectrochemistry at 193 K and by DFT calculations. It is a low-spin d5 Cr(I) complex. Oxidation is a accompanied by a large shift of electron density towards the Cr atom, manifested by a by nearly 100 cm-1 upward shift of the n(CO) IR bands. Spin density is lokalized mostly on the Cr atom but the charge on Cr is nearly the same both in the neutral and cationic complexes.
Permanent Link: http://hdl.handle.net/11104/0077777
Number of the records: 1