Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts
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This dissertation is devoted to the development of well-defined nickel complexes as catalysts for cross coupling processes of alkyl electrophiles. In chapter one, we summarize recent cross coupling methodologies of alkyl electrophiles using nickel based ca ...
Carbon-carbon bond forming reactions are among the most important and useful methods for organic synthesis. During the last years, significant progress has been made in this field. Whereas many catalysts were developed for the coupling of aryl, alkenyl, an ...
Catalysis with laughing gas: N2O in combination with transition-metal catalysts allow the oxidative homo- and cross-coupling of Grignard reagents. The reactions can be performed under mild conditions despite the inert character of N2O. ...
Linear free energy scaling relationships and volcano plots are common tools used to identify potential heterogeneous catalysts for myriad applications. Despite the striking simplicity and predictive power of volcano plots, they remain unknown in homogeneou ...
Cross-coupling reactions of non-activated alkyl halides are potentially useful chemical transformations. At the same time, however, they are challenging due to a series of unproductive side reactions. Recently, significant progress has been made to overcom ...
Selective catalytic synthesis of Z-olefins has been challenging. Here we describe a method to produce 1,2-disubstituted olefins in high Z selectivity via reductive cross-coupling of alkyl halides with terminal arylalkynes. The method employs inexpensive an ...
Transition-metal-catalyzed C-C coupling reactions have been extensively studied in the past three decades. These reactions have become invaluable to fundamental research and industrial applications, because they can be used construct complicated molecules ...
Imidazolium salts with aromatic groups 1,3-bis(9-anthracenylmethyl)imidazolium chloride ([Bamim]Cl), 1,3-bis(1-naphthalenylmethyl)imidazolium chloride ([Bnmim]Cl) and 1,3-bis( benzylmethyl)imidazolium chloride ([Bbmim]Cl) were reacted with PdCl2 forming th ...
The tricyclic diterpene cyrneine A featuring a hexatrienal unit was prepared synthetically for the first time by a Heck reaction, a carbene ring expansion, and a reductive carbonylation. The structure of the natural product was assigned by X‐ray crystal an ...
Two new bis(diphenylphosphino) amines, N,N-bis(diphenylphosphino) benzidine 1 and N, N-bis(diphenylphosphino)- 3,3-dimethoxybenzidine 2 were prepared by aminolysis. Their corresponding oxides, sulfides and selenides were readily prepared by reaction with h ...