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A density functional theory(DFT) study has been conducted to elucidate the mechanism of the transition-metal(Ir or Rh)-catalyzed regioselectivity C-H functionalization of Quinolion N-Oxides.The impact of different metals(Ir,Rh,Pd or Cu) on the regioselectivity(i.e.,C-8 versus C-2 position) has been evaluated in detail.