Mechanistic Studies on Pd(OAc)2- Catalyzed Meta-C–H Activation Reaction
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چکیده
This chapter describes a comprehensive computational study on the template-assisted and Pd(OAc)2-catalyzed meta-selective C–H olefination reaction. The reaction mechanism, the active form of catalyst, the potential role of silver salt and the origin of meta-selectivity were investigated in this work. The computational results demonstrated that the conventionally proposed monomeric Pd(OAc)2 model predicts ortho-selectivity, instead novel dimeric Pd2(OAc)4 and Pd–Ag(OAc)3 models successfully reproduce the experimentally observed meta-selectivity.
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Mechanistic Studies on Pd(OAc)2- Catalyzed Meta-C–H Activation Reaction
This chapter describes a comprehensive computational study on the template-assisted and Pd(OAc)2-catalyzed meta-selective C–H olefination reaction. The reaction mechanism, the active form of catalyst, the potential role of silver salt and the origin of meta-selectivity were investigated in this work. The computational results demonstrated that the conventionally proposed monomeric Pd(OAc)2 mode...
متن کاملMechanistic Studies on Pd(OAc)2- Catalyzed Meta-C–H Activation Reaction
This chapter describes a comprehensive computational study on the template-assisted and Pd(OAc)2-catalyzed meta-selective C–H olefination reaction. The reaction mechanism, the active form of catalyst, the potential role of silver salt and the origin of meta-selectivity were investigated in this work. The computational results demonstrated that the conventionally proposed monomeric Pd(OAc)2 mode...
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