Journal
ACS CATALYSIS
Volume 10, Issue 14, Pages 7543-7551Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acscatal.0c02105
Keywords
palladium catalysis; HAT photocatalyst; hydrogen-atom transfer; C-H functionalization; ketone synthesis; DFT calculation
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Funding
- National Natural Science Foundation of China [21702039, 81701751, 21662012, 41866005]
- Key Research and Development Program of Hainan Province [ZDYF2019155]
- China Scholarship Council (CSC)
- Program for Innovative Research Team in University [IRT-16R19]
- Fundamental Research Funds for the Central Universities [21619104]
- Guangdong Basic and Applied Basic Research Foundation [2020A1515011192]
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Herein, we report that merging palladium catalysis with hydrogen atom transfer (HAT) photocatalysis enabled direct arylations and Aralkenylations of aldehyde C-H bonds, facilitating visible light-catalyzed construction of a variety of ketones. Tetrabutylammonium decatungstate and anthraquinone were found to act as synergistic HAT photocatalysts. Density PC isolated yield functional theory calculations suggested a Pd-0-Pd-II-Pd-III-Pd-I-Pd-0 pathway and revealed that regeneration of the Pd-0 catalyst and the photocatalyst occurs simultaneously in the presence of KHCO3. This regeneration features a low energy barrier, promoting efficient coupling of the palladium catalytic cycle with the photocatalytic cycle. The work reported herein suggests great promise for further applications of HAT photocatalysis in palladium-catalyzed cross-coupling and C-H functionalization reactions to be successful.
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