Landman, MarileLiu, RenyuanFraser, RoanVan Rooyen, Petrus H.Conradie, Jeanet2014-03-072014-03-072014-02Landman, M, Liu, R, Fraser, R, Van Rooyen, PH & Conradie, J 2014, 'Fac and mer dppe-substituted Fischer carbene complexes of chromium: X-ray, DFT and electrochemical study', Journal of Organometallic Chemistry, vol. 752, pp. 171-182.0022-328X (print)1872-8561 (online)10.1016/j.jorganchem.2013.12.003http://hdl.handle.net/2263/37098X-ray crystallography data, DFT calculations and cyclic voltammograms in synergy shed light on the mer4fac isomerization process of Cr carbenes of the type [(CO)3(dppe)Cr]C(X)R] with R ¼ 2-thienyl or 2-furyl and X ¼ OEt or NHCy, both in the neutral and oxidized states. Cyclohexylamino-containing complexes are easier oxidized and reduced than ethoxy-containing complexes. Dppe-containing complexes are considerably easier oxidized and reduced than non-phosphine containing CreFischer carbene complexes of the type [(CO)5Cr]C(X)R] with X ¼ OEt, NHBu, NMe2 or N(CH2Ph)2 and R ¼ phenyl, thienyl, furyl, NMe-pyrrole, H or Me. The oxidation and reduction potential of the [(CO)3(dppe)Cr]C(X)R] complexes are not very sensitive to the influence of the heteroarene rings 2-thienyl or 2-furyl.en© 2013 Elsevier B.V. All rights reserved. Notice : this is the author’s version of a work that was accepted for publication in Journal of Organometallic Chemistry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Organometallic Chemistry, vol. 752, pp. 171-182, 2014. doi : 10.1016/j.jorganchem.2013.12.003Fischer dppe carbene complexesDFT calculationsChromium compoundsCarbenes (Methylene compounds)Electrochemical analysisX-ray crystallographyDensity functionalsVoltammetryPostprint Article