Multiple pathways for C-H cleavage in cationic Cp*Rh(iii)-catalyzed C-H activation without carboxylate assistance: a computational study

作者：Xie, Peipei; Guo, Wei; Chen, Dimei; Xia, Yuanzhi^*

来源：Catalysis Science & Technology, 2018, 8(16): 4005-4009.

DOI：10.1039/c8cy00870a

• CONCERTED METALATION-DEPROTONATION
• QUINOLINE N-OXIDES
• O-ATOM TRANSFER
• DIRECT ARYLATION
• DIAZO-COMPOUNDS
• ACTIVATION/CYCLOADDITION REACTIONS
• RH(III)-CATALYZED SYNTHESIS
• BOND FUNCTIONALIZATION
• MECHANISTIC INSIGHT
• RH(III) CATALYST

DFT calculations uncovered multiple pathways for C-H cleavage in cationic Cp*Rh(iii)-catalyzed C-H functionalization of different precursors under carboxylate-free conditions, in which the heteroatom-containing solvent, reactant, product, or even trace water could be possibly involved as a proton acceptor, assisting the C-H bond cleavage via an outer sphere CMD transition state.

• 出版日期2018-8-21
• 单位温州大学