主     题：Design of transition metal catalysts: A journey from the laboratory to the super computer (and back)

报告人：Prof. Eric A. B. Kantchev

    The presenter:Prof. Eric A. B. Kantchev obtained his undergraduate degree (1996) in organic and analytical chemistry from the University of Sofia in his native Bulgaria. After a Ph. D. (2001) in Ohio State University, Columbus, OH (USA) and two postdoctoral appointments, in Academia Sinica, Taipei (Taiwan, 2001-2004) and York University, Toronto, ON (Canada; 2004-2005), he began his career as a research scientist in A*STAR, Singapore (2005-2013). After sort term stints in School of Materials Science and Engineering, Nanyang Technologcal University, Singapore (2013-2014) and School of Chemistry, Chemical Engineering and Life Science, Wuhan University of Technology (China, 2014), Prof. Kantchev is currently Green Chemistry Group Leader at the School of Chemistry and Chemical Engineering, Hefei University of Technology, China. His current research interests lie in combined experimental and computational approaches to new transition metal catalysts for fine chemical synthesis. Prof. Kantchev has participated in a number of projects in wide range of chemical disciplines, from carbohydrate-covered dendrimers to metal complexes, and density functional theory calculations to conducting polymers. Since 1999, the results of these efforts have been published in 47 peer-reviewed publications gathering total of approx. 2400 citations (h factor = 20).

      Abstract:：Transition metal catalysis is one of the most important and vibrant research fields in chemistry. Personal experience over the last 10 years in the studies and design of highly active and practical catalysts will be briefly presented, starting with the N-heterocyclic carbene-palladium-pyridine complexes (PEPPSI) for challenging alkyl-alkyl and aryl chloride Negishi cross-couplings. A different direction in the NHC-Pd chemistry led to the development of a family of NHC-palladacycle family of catalysts, showing high activity and versatility in the Heck-Mizoroki and Suzuki-Miyaura reactions. Collaborative computational studies on the alkyl-alkyl organozinc and Grignard cross-couplings will be discussed next. In the second part of the talk, computational studies on the modeling of the enantioselectivity of the chiral diene-Rh catalyzed 1,4-arylation reaction, including a computational design of ciral diene ligands will be presented.

        时间：2015年4月1日（星期三）下午15：00

        地点：化生学院2楼研究生教室

        欢迎广大师生参加！