Journal
ELECTROCHIMICA ACTA
Volume 185, Issue -, Pages 288-296Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.electacta.2015.10.116
Keywords
Chromium; Electrochemistry; DFT; Electronegativity; beta-diketone; Hammett; Lever
Categories
Funding
- South African National Research Foundation
- Central Research Fund of the University of the Free State, Bloemfontein, South Africa
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A combined quantum chemistry and electrochemistry study of a series of tris(beta-diketonato)-Cr(III) complexes showed that the different electron donating properties of the R and R' groups, substituted on the 1 and 3 positions of the beta-diketonate ligand (RCOCHCOR'), largely influence the redox properties of these complexes, due to the good communication between the R and R' groups and the metal via the beta-diketonato-metal conjugated system. Linear relationships were obtained between the reduction potential of the tris(beta-diketonato)-Cr(III) complexes and a variety of electronic parameters used to describe the electron-donating and -withdrawing power of the R and R' groups on the beta-diketonate ligand. (C) 2015 Elsevier Ltd. All rights reserved.
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