| Abstrakt: |
Abstract: For several decades, transition‐metal catalysis has been a popular method for many functional group transformations in organic chemistry. Recent developments in sustainability and applications of earth‐abundant metals have resulted in a synthetic renaissance and have attracted considerable interest in less toxic and inexpensive first‐row transition‐metal catalysts such as nickel. Herein, we highlight some recent computational insights into the reaction mechanisms of Ni‐catalyzed hydrofunctionalizations (i.e., hydrogenation, hydrovinylation, hydroacylation, hydroheteroarylation, hydrosilylation, and hydroalkoxylation) and Ni‐dependent enzymes (i.e., lactate racemase, methyl‐CoM reductase, and [NiFe]‐hydrogenase). These computational studies provide insights into these reaction mechanisms and thus assist in the development and design of sustainable catalysts. [ABSTRACT FROM AUTHOR] |
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