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Cover Picture (Angew. Chem. Int. Ed. Engl. 20/1995)
Publication year - 1995
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199521751
Subject(s) - cover (algebra) , citation , chemistry , library science , saddle point , computer science , mathematics , engineering , mechanical engineering , geometry
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 CC and CH bond activations by Fe + on page 2282 ff. Density functional studies suggest that the H 2 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.