羰基化
化学
催化作用
量子化学
合理化(经济学)
镍
基质(水族馆)
有机化学
组合化学
一氧化碳
分子
海洋学
地质学
哲学
认识论
作者
Niels Lichtenberger,Maximilian Menche,Katharina S. L. Rück,Rocco Paciello,Ansgar Schäfer,Peter Comba,A. Stephen K. Hashmi,Thomas Schaub
出处
期刊:Organometallics
[American Chemical Society]
日期:2022-05-05
卷期号:41 (10): 1184-1196
被引量:2
标识
DOI:10.1021/acs.organomet.2c00090
摘要
The (hydroxy)carbonylation of tertiary aliphatic alcohols and their corresponding olefins with a Ni-based catalyst system is investigated. This study builds on a previous mechanistic investigation into the Ni-catalyzed carbonylation of alcohols. The findings differed from what could be explained with the previously reported mechanisms, prompting this in-depth mechanistic study. Combined experimental and quantum chemical efforts are crucial for the rationalization of the observed reactivities and ultimately help reveal another isobutene-based catalytic pathway, accessible with these substrates. This study further expands the knowledge about Ni-catalyzed carbonylation reactions, which have been known for more than 70 years but were scarcely studied in detail from a mechanistic point of view.
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