Synthesis and Spectroscopic Characterization of Organometallic Compounds

Dear Colleagues,

The increasing use of organometallic complexes as catalysts in organic syntheses carried out in the homogeneous frame requires them to have determined properties. To be hydrocarbon-soluble, bulky lipophilic fragments must surround the metal to offer protection to the coordinated unsaturated active metal site. Moreover, this steric cage stabilizes intramolecular and associative processes as a solvent or other ligand coordination. All these properties are matched by an appropriate ligand(-s) choice for the metal complexes. In this respect, quantum chemical calculations represent an important tool for analyzing the electronic structure and reactivity of organometallic complexes and allow for the precise design of ligands that stabilize the metal site and influence the behavior of catalysts.

In chemistry mediated by metal complexes by subtle changes in ligand design, it is possible to alter the reactivity vastly, as well as the catalytic properties of the complexes; examples include the variation in a variety of protecting groups in catalytically useful transition metal complexes. Changing the substituents' nature makes it possible to introduce chiral centers, which are crucial in polymers' stereoselective synthesis. Quantum chemical methods allow us to understand how these changes influence the electronic environment and the stability of the metal center. Molecular modeling of these complexes makes it possible to predict the effect of different ligands on factors such as electron distribution, coordination geometry, and bond strengths, which govern catalytic activity.

Applications of supported bimetallic clusters most likely occur in the production of specialty chemicals or with stable combinations of oxophilic and noble metals. Supported metals are among the essential catalysts used in technology, and, increasingly, these are bimetallic, usually incorporating at least one metal from the platinum group. The catalytic behavior of a supported metal is influenced by the size of the metal particles and by their interactions with the support and other catalyst components, such as a second catalytic metal, which could be a promoter. The second metal may influence the first metal through electronic interactions or be involved in the reaction by bonding directly to reactants or intermediates. Often, the interactions between the two metals are complex and largely unknown. Quantum chemical calculations can explain these complex interactions and help prepare bimetallic catalysts with new and improved properties. Several industrial processes are carried out over organometallic catalysts.

This Special Issue welcomes the submission of papers based on original research or reviews that describe innovative sustainable organic or organometallic reactions, methodologies, and their applications, ranging from mechanistic aspects and quantum chemical insights to applications in catalysis and the immobilization of complexes in mesoporous materials.

Dr. Jacek Nycz
Guest Editor

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