金属转移
化学
催化循环
催化作用
还原消去
配体(生物化学)
钯
组合化学
参数化(大气建模)
氧化加成
反应机理
联轴节(管道)
计算化学
有机化学
机械工程
生物化学
物理
受体
量子力学
工程类
辐射传输
作者
Sharbil J. Firsan,Vilvanathan Sivakumar,Thomas J. Colacot
出处
期刊:Chemical Reviews
[American Chemical Society]
日期:2022-10-03
卷期号:122 (23): 16983-17027
被引量:69
标识
DOI:10.1021/acs.chemrev.2c00204
摘要
Monoligated palladium(0) species, L1Pd(0), have emerged as the most active catalytic species in the cross-coupling cycle. Today, there are methods available to generate the highly active but unstable L1Pd(0) catalysts from stable precatalysts. While the size of the ligand plays an important role in the formation of L1Pd(0) during in situ catalysis, the latter can be precisely generated from the precatalyst by various technologies. Computational, kinetic, and experimental studies indicate that all three steps in the catalytic cycle─oxidative addition, transmetalation, and reductive elimination─contain monoligated Pd. The synthesis of precatalysts, their mode of activation, application studies in model systems, as well as in industry are discussed. Ligand parametrization and AI based data science can potentially help predict the facile formation of L1Pd(0) species.
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