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As a photocatalyst, mesoporous carbon nitride (mpg‐C3N4) shows higher photocatalytic activities in organic synthesis. Herein we report an mpg‐C3N4‐catalyzed oxidation of α‐hydroxy ketones to synthesize 1,2‐diketones using visible light. This transformation represents a green and highly efficient synthetic route to synthesize 1,2‐diketones for which catalytic approaches are scarce. 相似文献
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Jahn-Teller effect of C60 monoanion in the first electronically excited states was theoretically investigated. The orbital vibronic coupling parameters for t1g next lowest unoccupied molecular orbitals were derived from the Kohn-Sham orbital levels calculated using a frozen phonon approach with both hybrid B3LYP and CAM-B3LYP functionals, which take long-range interaction correction into consideration. With these coupling parameters, the vibronic states of first excited were derived by exactly diagonalizing dynamical Jahn-Teller Hamiltonian. The results showed that dynamical Jahn-Teller effects are more significant in the first excited than those in the ground electronic states. This work also clarified that CAM-B3LYP gives results closer to experimental data than B3LYP. 相似文献
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Jiang Rujun Yue Man-Chung Zhou Zhishuo 《Computational Optimization and Applications》2021,79(2):471-506
Computational Optimization and Applications - We propose a first-order method to solve the cubic regularization subproblem (CRS) based on a novel reformulation. The reformulation is a constrained... 相似文献
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Zhishuo Wang Jiangliang Yin Fulin Zhou Yunqi Liu Jingsong You 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(1):260-264
Reported herein is a rhodium(III)‐catalyzed three‐component annulation reaction of simple pyridines, alkynes, and 1,2‐dichloroethane (DCE), affording a streamlined pathway to diverse ring‐fused pyridiniums. DCE not only serves as a vinyl equivalent but also as an in situ activating agent for pyridine C2?H activation. A cationic five‐membered rhodacycle complex has been isolated and proposed as a possible intermediate. This strategy can be extended to other N‐containing heteroarenes for the synthesis of multiring‐fused pyridiniums. These multicomponent reactions exhibit excellent regioselectivity for 1,3‐diynes, paving a path to the cascade cyclization of 3‐fluoropyridine or N‐methylpyridin‐3‐amine with 1,3‐diynes for the construction of brand‐new tricyclic‐fused pyrano‐ or hydropyridoquinolizinium salts. These ionic fluorophores have been investigated as potential biomarkers. 相似文献
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Zhishuo Wang Linfeng Jiang Jinwen Ji Fulin Zhou Jingbo Lan Prof. Dr. Jingsong You 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(52):23738-23742
Described herein is a strategy to construct cationic azahelicenes through the three-component annulation reaction of isoquinoline, indole, and 1,2-dichloroethane (DCE), in which DCE serves as an in situ activating agent for C1−H activation of isoquinoline, a vinyl equivalent, and a solvent. This in situ activation annulation reaction features a facile one-step synthesis and complete regioselectivity. The complete regioselectivity of C1 over C3 for the isoquinoline ring paves a path to the helical structure in a highly ordered sequence. One of the synthesized ionic [5]azahelicenium fluorophores exhibits the potential to serve as a mitochondria-targeted biomarker with good photostability and low cytotoxicity. 相似文献
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