C–H Bond Activation by Transition Metal Complexes

Dear Colleagues,

C–H activation processes are ubiquitous in hydrocarbon chemistry and organic synthesis since they enable the production of more useful and interesting molecules to many applications. The term “C–H activation” is associated with the cleavage of the low-reactive C–H bonds in hydrocarbons (mostly alkanes, arenes) by transition metal complexes, whose d orbitals may interact with the C–H σ and σ* orbitals, enabling electron donation and back-donation. This electronic interplay may ultimately weaken the C–H bond to its scission. The work by Chatt using Ru(0) to activate the C–H bond of naphthalene and the H/D exchange between methane and benzene with heavy water using Pt(II) catalyst by Shilov were the first examples of successful C–H bond activation using transition metals in the 1960s. Later on, Shilov demonstrated C–H functionalization in methane by selective oxidation to methanol using Pt(II) and Pt(IV). The next discovery of alkane C–H activation reactions via Co(III), Pt(IV), Pd(II), Ru(IV), Ir(III), and Ti(IV) metal complexes in the 1970s paved the way to the development of most robust transition metal organometallic catalysts. In the search for these systems, challenging aspects like efficiency and selectivity have played a critical role. Depending on the metal and ligands involved in the catalyst, different mechanistic scenarios have been proposed over the years, such as oxidative addition/reductive elimination, 1,2-addition, electrophilic substitution, and σ-bond metathesis. Significant effort has been made in recent years in the field of organometallic chemistry to decipher true operative mechanisms that can lead to a more rational catalyst design for C–H activation in hydrocarbons.

In this Special Issue of Inorganics, I would like to invite you to contribute with the most recent advances in C–H bond activation using transition metal complexes through research articles and reviews that cover fundamental aspects such as new reactions, catalyst development, and mechanistic insights. Contributions from both experimental and computational approaches are equally welcome.

Prof. Dr. Francisco Núñez-Zarur
Guest Editor

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• C–H activation
• transition metal complex
• catalyst development
• reaction mechanism
• computational chemistry
• oxidative addition