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• W4311906500 endingPage "108067" @default.
• W4311906500 startingPage "108067" @default.
• W4311906500 abstract "Unraveling the catalytic reaction mechanism is a long-term challenge for developing efficient catalysts. The blooming bimetallic catalyst have enabled to activate inert bonds and realize complex C-C formation. Herein, we theoretically discover a dual-phosphinito bridged hetero-bimetallic species that verified by NMR experiments. Our results indicate only dual-phosphinito Ni-Al model can be an active catalyst in asymmetric cycloadditions via C-C activation and C-H activation, which can well rationalize the experimental observations for both reactivity and stereo-selectivity. An unprecedented tandem redox dehydrogenation mechanism was revealed to control the formation of this active species overriding the inherent basicity. Synergistic Lewis acid and eg orbital interactions, including dz2orbital reoccupation and dx2−y2 orbital recombination, were disclosed to understand both thermodynamic and kinetic advance of dual-bridged model, displaying feasible redox properties." @default.
• W4311906500 created "2023-01-02" @default.
• W4311906500 creator A5020050122 @default.
• W4311906500 creator A5021740792 @default.
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• W4311906500 date "2023-08-01" @default.
• W4311906500 modified "2023-09-26" @default.
• W4311906500 title "Overriding the inherent alkalinity to dual phosphinito bimetallic catalyst for C(sp2)-C(sp3) formation: A combined computational and experimental study" @default.
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• W4311906500 doi "https://doi.org/10.1016/j.cclet.2022.108067" @default.
• W4311906500 hasPublicationYear "2023" @default.
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