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1Advances in theoretical study on transition-metal-catalyzed C-H activation显示文摘Transition-metal-catalyzed C–H activation represents one of most attractive research fields in modern organic chemistry while theoretical studies have become a popular and effective tool for elucidating mechanism nowadays. The recent achievements in the cross field of the two orientations are reviewed in this article. The first part introduced the advances in theoretical study on transition-metal-catalyzed C–H activation. The elegant work reported mainly in and after 2013, classified according to the mechanisms of C–H activation, were covered. The second part provided an analysis on the distribution of quantum-chemical methods, solvation models and basis sets in the collected theoretical studies.Yuan-Ye Jiang Xiaoping Man Siwei Bi 2016Science China Chemistry2016,59,11:1
2Highly Regioselective Direct C-H Arylation: Facile Construction of Symmetrical Dithienophthalimide-Based π-Conjugated Molecules for Optoelectronics显示文摘Controllable direct C-H arylation with high regioselectivity is highly desirable yet remains a formidable challenge.Herein,a facile regioselective direct C-H arylation is developed for efficient construction of a variety of symmetrical dithienophthalimide-basedπ-conjugated molecules.The resulting methodology is applicable to a wide range of substrates,from electron-rich units to electrondeficient units with large steric end groups.Aryl halides have been confirmed to be able to couple with dithienophthalimide(DTI)via direct C-H arylation,showing high regioselectivity.Varying the functional end groups onto the DTI core has been demonstrated to fine tune the emission colors to cover most of the visible spectra.The results suggest a facile strategy towards highly selective direct C-H arylation,opening the prospects towards efficient construction ofπ-conjugated molecules for various potential optoelectronic applications.Xiang-Chun Li Yibo Xue Wan Song Yu Yan Jie Min Fang Liu Xu Liu Wen-Yong Lai Wei Huang 2020Research2020,,1:0
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