催化作用
镍
光催化
烷基化
光化学
烯丙基重排
化学
密度泛函理论
烷烃
氢原子
光催化
有机化学
计算化学
烷基
作者
Youxiang Jin,Elvis Wang Hei Ng,Tao Fan,Hajime Hirao,Liu‐Zhu Gong
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2022-08-03
卷期号:12 (16): 10039-10046
被引量:21
标识
DOI:10.1021/acscatal.2c02345
摘要
We have developed an allylic alkylation of alkanes by dual photo-HAT/nickel catalysis. In this reaction, radical-type hydrogen-atom-transfer of the alkanes is enabled by decatungstate as a photocatalyst, whereas nickel serves to cleave the C–O bond in the substrates under mild reaction conditions. This co-catalyzed reaction provides a method for direct functionalization of alkanes. Density functional theory calculations show that reductive elimination is the rate-determining step of this reaction.
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