A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions

A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions

Author : Max García Melchor

Publisher : Springer International Publishing

Published date : 2013-10-04

Category : Textbook

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About the Book

A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions

Find out how theoretical calculations are used to determine, elucidate and propose mechanisms for Pd-catalyzed C-C cross-coupling reactions in Max Garcia Melchor's outstanding thesis. Garcia Melchor investigates one of the most significant and useful types of reactions in modern organic synthesis; the Pd-cross coupling reaction. Due to its versatility, broad scope and selectivity under mild conditions, this type of reaction can now be applied in fields as diverse as the agrochemical and pharmaceutical industry. Garcia Melchor studies the reaction intermediates and transition states involved in the Negishi, the copper-free Sonogashira and the asymmetric version of Suzuki-Miyaura coupling. He also characterizes and provides a detailed picture of the associated reaction mechanisms. The author has won numerous prizes for this work which has led to over eight publications in internationally renowned journals.

Nominated as an Outstanding Ph.D. thesis by the Universitat Autónoma de Barcelona, Spain The author’s research has been honored with several national and international scientific awards: the Catalan Chemical Society award (Premi St. Jordi 2009) for the best undergraduate thesis in Chemistry, the short presentation award at the IV School on Organometallic Chemistry Marcial Moreno Mañas (Santiago de Compostela, 2011), and the poster award at the Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC) (Santiago de Compostela, 2011) The author’s research has been published in 8 articles (as of May 2013) in top peer-reviewed journals such as Angewandte Chemie International Edition, Journal of American Chemical Society, Chemistry - A European Journal, etc. and 2 book chapters The author’s articles have been cited more than 80 times (as of May 2013)

About the Author

Max García Melchor
a few words

Max García Melchor

Max García-Melchor received his BSc in Chemistry and MSc in Theoretical Chemistry from the Universitat Autònoma de Barcelona. His Master and Doctorate studies, supervised by Prof. Agustí Lledós and Prof.Gregori Ujaque, involved the use of computational methods to elucidate the reaction mechanisms of several Pd-catalysed C–C cross-coupling reactions. After obtaining his Ph.D. in Chemistry in 2012, he joined the group of Prof. Nuria López at the Institute of Chemical Research of Catalonia (ICIQ), where he conducted postdoctoral research that allowed him to underpin the mechanisms and factors that govern several catalytic processes on metal oxides surfaces. In 2014, he was a recipient of one of the prestigious Beatriu de Pinós Postdoctoral Fellowships to conduct a second postdoctoral stay in the research group of Prof. Jens Nørskov at Stanford University. During this period, his research contributed to the understanding of the electrochemical water oxidation reaction catalyzed by various metal-oxide-based materials, as well as to guide the design of high-performance catalysts for this process.

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