03287nam a22005175i 4500 978-3-319-01490-6 DE-He213 20210617013643.0 cr nn 008mamaa 131004s2013 gw | s |||| 0|eng d 9783319014906 978-3-319-01490-6 10.1007/978-3-319-01490-6 doi QD450-801 PNRP bicssc SCI013050 bisacsh PNRP thema 541.2 23 Melchor, Max García. author. aut http://id.loc.gov/vocabulary/relators/aut A Theoretical Study of Pd-Catalyzed C-C Cross-Coupling Reactions [electronic resource] / by Max García Melchor. 1st ed. 2013. Cham : Springer International Publishing : Imprint: Springer, 2013. XVIII, 136 p. 76 illus., 68 illus. in color. online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Springer Theses, Recognizing Outstanding Ph.D. Research, 2190-5053 General introduction -- Computational methods -- Objectives -- The Negishi reaction mechanism -- The Cu-free Sonogashira reaction mechanism -- An asymmetric Suzuki-Miyaura reaction mechanism -- General conclusions. 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. Chemistry, Physical and theoretical. Organic chemistry. Catalysis. Theoretical and Computational Chemistry. https://scigraph.springernature.com/ontologies/product-market-codes/C25007 Organic Chemistry. https://scigraph.springernature.com/ontologies/product-market-codes/C19007 Catalysis. https://scigraph.springernature.com/ontologies/product-market-codes/C29000 SpringerLink (Online service) Springer Nature eBook Printed edition: 9783319014913 Printed edition: 9783319014890 Printed edition: 9783319348667 Springer Theses, Recognizing Outstanding Ph.D. Research, 2190-5053 https://doi.org/10.1007/978-3-319-01490-6 ZDB-2-CMS ZDB-2-SXC Chemistry and Materials Science (SpringerNature-11644) Chemistry and Material Science (R0) (SpringerNature-43709)