求是理学论坛第二场――Prof. Notker Rösch

报告题目：Hydrogen Activation by Transition Metals 报告人：Prof. Dr. Dr. h.c. Notker Rösch 报告时间：2010年3月26号(周五)上午10：30 报告地点：化学楼，教八-515 报告内容简介：Supported transition metal clusters and small particles act as catalysts for the hydrogenation and dehydrogenation of hydrocarbons.Using density functional calculations on models of simple and embedded clusters models, we discuss the structural and energetic consequences of hydrogen loading ofzeolite supported small transition metal clusters of definite nuclearity, in particular for the cases of Rh6 and Ir4 [1-3].Silver, a widely used oxidation catalyst, was recently shown to catalyze the regioselective hydrogenation of unsaturated aldehydes to unsaturated alcohols [4].We explored the activation of molecular hydrogen by silver and the hydrogenation reaction using a slab model density functional approach [5,6]. [1] G. P. Petrova, G. N. Vayssilov, N. Rösch, J. Phys. Chem. C 2007, 111, 14484-14492.[2] G. P. Petrova, G. N. Vayssilov, N. Rösch, J. Phys. Chem. C 2008, 112, 18572�18577.[3] A. M. Shor, E. A. Ivanova Shor, V. A. Nasluzov, G. N. Vayssilov, N. Rösch, J. Chem. Theor. Comput. 2008, 3, 2290-2300.[4] K. M. Neyman, A. B. Mohammad, K. H. Lim, I. V. Yudanov, M. Bron, P. Claus, N. Rösch, J. Phys. Chem. C 2009, 113, 13231�13240.[5] A. B. Mohammad, K. H. Lim, I. V. Yudanov, K. M. Neyman, N. Rösch, Phys. Chem. Chem. Phys. 2007, 10, 1247-1254.[6] A. B. Mohammad, I. V. Yudanov, K. H. Lim, K. M. Neyman, N. Rösch, J. Phys. Chem. C 2008, 112, 1628-1635. 报告人简介：Prof. Dr. Dr. h.c. Notker Rösch Department Chemie and Catalyis Research Center, Technische Universität München, 85748 Garching, Germany (慕尼黑工业大学化学和催化研究所)http://www.theochem.tu-muenchen.de/ Education 1971 doctorate in theoretical chemistry, TU München 1962 - 1968 reading physics and mathematics (LMU München, U Hamburg, TU München) Academic career 1980 professor, TU München 1976 habilitation, theoretical chemistry, TU München 1972�1974 DFG fellowship: Dept. of Materials Science MIT, Cambridge; Dept. of Chemistry & School of Applied Physics, Cornell University, Ithaca NY, USA 1972�1977 research associate, TU München Guest professorships 2006 Dept. of Chemistry, U Barcelona, Spain 1999 Fakultät für Chemie, U Heidelberg, Germany 1998 Dept. of Physical Chemistry, U Barcelona, Spain 1997 Dept. of Chemistry, U Florida, USA 1992 Dept. of Chemistry, U Auckland, New Zealand Publications ca. 390 publications in refereed journals ca. 40 contributions to multi-authored volumes 1 textbook 1 internet-based course "Quantum Chemistry Laboratory" http://qcl.theochem.tu-muenchen.de/ 2 edited volumes of scientific journals Academic offices 2008� director, Catalysis Research Center, TU München 1999�2001 spokesperson Sonderforschungsbereich 338 (center of excellence) “Adsorption at Solid Surfaces“ Honors 2005 Dr. honoris causa, University of Sofia, Bulgaria 2009 fellow, Royal Society of Chemistry