Revealing Reaction Mechanisms in Homogeneous Transition Metal Catalysis, 2nd Edition

Dear Colleagues,

The interest in transition metal complexes as homogeneous catalysts is fueled from several sides. There are outstanding catalytic processes such as hydroformylation or the Wacker oxidation that produce important intermediates in our chemical supply chain on an industrial scale of millions of tons. At the same time, there are highly selective and efficient catalysts for gram-scale lab reactions with high valorization. Finally, when considering metalloenzymes in biochemical processes the list of homogeneous catalysts containing transition metals is long and the types of reactions they catalyze encompass any kind of chemical reaction we can think of.

For non-transition metal catalysis, the invariability of the octet rule for the involved light elements facilitates the description of the underlying mechanistic steps. For transition metals, the number of binding partners, spin and oxidation state; in other words, their electronic setting is variable and far less clear than an octet of electrons. Plausibility is very often the rationale of the mechanisms depicted in textbooks and publications, while consolidated knowledge is frequently scarce. However, with the highly sophisticated spectroscopic and analytical tools that we have in hand today and the dramatically developing quality of quantum chemical calculations, we are more and more able to obtain deep insight into catalytic mechanisms. In turn, this allows us to further optimize catalysts and catalytic reactions.

This Special Issue aims to bring together experimental, theoretical, and mixed experimental–theoretical approaches to reveal mechanisms in transition metal catalyzed organic, inorganic, organometallic, and biochemical transformations. It will focus on the role of the transition metal(s) in binding and activating substrates, transforming them and finally releasing them. This includes the beneficial/cooperating role of non-spectator ligands. Studies dedicated to providing insights into reaction mechanisms, including tracing or characterization of intermediates or modelling essential reaction steps, are welcome.

Prof. Dr. Axel Klein
Prof. Dr. S. Masoud Nabavizadeh
Dr. Fatemeh Niroomand Hosseini
Guest Editors

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