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1N-heterocyclic carbene-catalyzed radical reactions显示文摘While N-heterocyclic carbene(NHC)catalyzed electron-pair-transfer processes have been developed into an important tool for synthetically important bond formations during the past decades,the corresponding radical reactions via NHC catalysis have only received growing attention in the past six years.Taking into account the advantages NHC-catalyzed radical reactions might bring,such as creating new activation modes that were previously unobtainable,it is worthwhile to provide a conceptual understanding of this emerging area.Therefore,herein we give an overview of NHC-catalyzed radical reactions via different synthetic techniques.Kun-Quan Chen He Sheng Qiang Liu Pan-Lin Shao Xiang-Yu Chen 2021Science China Chemistry2021,64,1:1
2The First-principles Study on the Rectification of Molecular Junctions Based on the Alkyl-chain-modified[2,5?]Bipyrimidinyl(biphenyl isocyanide)gold(Ⅰ)显示文摘Using density functional theory(DFT)combined with nonequilibrium Green?s function investigates the electron-transport properties of several molecular junctions based on the[2,5?]bipyrimidinyl(biphenyl isocyanide)gold(Ⅰ)molecule(BPM-Au(Ⅰ)CN-BP),which is modified by one to three alkyl groups forming BPM-Au(Ⅰ)CN-BP(CH2)n.The asymmetric current-voltage characteristics have been obtained for the molecular junctions.Rectifying performance of Au/S-BPM-Au(I)CN-BP-S/Au molecular junction can be regulated by introducing alkyl chain.The M1 molecular junction exhibits the best rectifying effect.Its maximum rectifying ratio is 2109,which is about 150 times more than that of the molecular junction based on the original M.Moreover,all the systems modified by alkyl group have obvious negative differential resistance behavior(NDR).The current-voltage(Ⅰ-Ⅴ)curves of all the systems in this work are illustrated by transmission spectra.高泉党 杨娥 2020Chinese Journal of Structural Chemistry2020,39,10:1
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