Preface
Selective formation of carbon–carbon or carbon–heteroatom bonds through transition metal-catalyzed direct functionalization of unreactive C–H bonds has attracted
considerable attention in chemical research and industry with regard to atom and step
economy. Transition metal catalysts, including Pd, Rh, Ru, Co, Ir, Ni, and Pt catalysts, are crucial for C–H bond cleavage and further transformations. In particular,
Rh, which might be the best alternative to Pd, shows significant catalytic activity
in C–H functionalization and has attracted wide attention in synthetic chemistry.
This has become an increasingly important strategy for the construction of complex
organic molecules.
In recent years, a broad range of experimental transformations can be achieved
through Rh-catalyzed C–H bond functionalization. Today, the goal for Rh-catalyzed
C–H activation is to selectively activate targeted C–H bonds under mild conditions
to synthesize specific organic molecules in an efficient, highly selective, and green
manner. Along with the huge progress that has been witnessed experimentally, a
complete understanding of the mechanism of a given reaction can lead to improved
reactions and enable the development of novel reactions. Recently, the computational
study of Rh-catalyzed C–H functionalization has achieved significant accomplishments. Both the detailed reaction mechanism and origin of selectivity in Rh-catalyzed
C–H functionalization have been better elucidated by the computational study.
This volume focuses on the theoretical aspects of Rh-catalyzed C–H bond functionalization, providing the first comprehensive and systematic summary of theoretical advances in Rh-catalyzed C–H functionalization in recent decades. We present
a general view of organometallic chemistry and a brief history of Rh-catalyzed C–
H functionalization. We point out the importance of using the computational tool
to study the mechanism of Rh-catalyzed C–H functionalization. In addition, this
volume presents the computational methods in theoretical studies of Rh-catalyzed
C–H functionalization. We also summarize the elementary reactions in Rh-catalyzed
C–H functionalization from the aspect of nucleophilic C–H bond activation and electrophilic C–H bond activation. And then, the C–C and C–X bond formation involving
arylation, alkylation, alkenylation, alkynylation, carbonylation, hydroacylation, and
annulation reactions catalyzed by Rh are discussed. In each section, the order of the
v
Selective formation of carbon–carbon or carbon–heteroatom bonds through transition metal-catalyzed direct functionalization of unreactive C–H bonds has attracted
considerable attention in chemical research and industry with regard to atom and step
economy. Transition metal catalysts, including Pd, Rh, Ru, Co, Ir, Ni, and Pt catalysts, are crucial for C–H bond cleavage and further transformations. In particular,
Rh, which might be the best alternative to Pd, shows significant catalytic activity
in C–H functionalization and has attracted wide attention in synthetic chemistry.
This has become an increasingly important strategy for the construction of complex
organic molecules.
In recent years, a broad range of experimental transformations can be achieved
through Rh-catalyzed C–H bond functionalization. Today, the goal for Rh-catalyzed
C–H activation is to selectively activate targeted C–H bonds under mild conditions
to synthesize specific organic molecules in an efficient, highly selective, and green
manner. Along with the huge progress that has been witnessed experimentally, a
complete understanding of the mechanism of a given reaction can lead to improved
reactions and enable the development of novel reactions. Recently, the computational
study of Rh-catalyzed C–H functionalization has achieved significant accomplishments. Both the detailed reaction mechanism and origin of selectivity in Rh-catalyzed
C–H functionalization have been better elucidated by the computational study.
This volume focuses on the theoretical aspects of Rh-catalyzed C–H bond functionalization, providing the first comprehensive and systematic summary of theoretical advances in Rh-catalyzed C–H functionalization in recent decades. We present
a general view of organometallic chemistry and a brief history of Rh-catalyzed C–
H functionalization. We point out the importance of using the computational tool
to study the mechanism of Rh-catalyzed C–H functionalization. In addition, this
volume presents the computational methods in theoretical studies of Rh-catalyzed
C–H functionalization. We also summarize the elementary reactions in Rh-catalyzed
C–H functionalization from the aspect of nucleophilic C–H bond activation and electrophilic C–H bond activation. And then, the C–C and C–X bond formation involving
arylation, alkylation, alkenylation, alkynylation, carbonylation, hydroacylation, and
annulation reactions catalyzed by Rh are discussed. In each section, the order of the
v