Angewandte Chemie International Edition
© WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Cover Picture (Angew. Chem. Int. Ed. Engl. 20/1995)
The cover picture shows the crucial step of the reaction sequence determined by quantum chemical calculations for the elimination of hydrogen from ethane by an iron cation. This is described in the article by M. C. Holthausen et al on the explanation of the mechanistic details of the C-C and C-H bond activations by Fe+ on page 2282 ff. Density functional studies suggest that the H2 elimination does not, as previously proposed, occur via a (dihydrido)iron intermediate, but is concerted. The structure shown in the center of the cover is calculated to be the structure of the saddle point. The computer graphics was produced in collaboration with Dr. T. Steinke at the Konrad-Zuse-Zentrum für Informationstechnik Berlin.