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Journal Article 
Wu, Y.; Karttunen, V. A.; Parker, S.; Genest, A.; Rosch, N. 
Olefin Hydrosilylation Catalyzed by a Bis-N-Heterocyclic Carbene Rhodium Complex. A Density Functional Theory Study 
Using a density functional theory method, we explored four reaction mechanisms of hydrosilylation of silane and ethylene as model substrates, catalyzed by a Rh(I) complex with a bidendate ethylene-bridged bis-N-heterocyclic carbene ligand. We examined in detail the energy profiles of the Glaser-Tilley, Chalk-Harrod, and modified Chalk-Harrod mechanisms, as well as of sigma-bond metathesis. The Chalk-Harrod mechanism and sigma-bond metathesis were determined most favorable, with the calculated hi...    »
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ISI Document Delivery No.: 132IF Times Cited: 0 Cited Reference Count: 59 Wu, Yin Karttunen, Virve A. Parker, Shane Genest, Alexander Roesch, Notker Wacker Chemie AG; Fonds der Chemischen Industrie We thank Dr. J. Stohrer (Wacker Chemie AG) for valuable discussions. This work was supported by Wacker Chemie AG and Fonds der Chemischen Industrie. We gratefully acknowledge generous computing resources at Leibniz Rechenzentrum Munchen. 0 Amer chemical soc Washington 
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