Avaluació de molècules petites mitjançant complexos de metalls de transició

Project Details


This project falls within the Theoretical Organometallic Chemistry. The main goal is to understand the different aspects of the activation of small molecules by transition metal complexes. The study will be applied to molecular hydrogen, tetrahydroborato and carbon dioxide systems. All these elemental processes are related to the homogeneous catalysis. Three remarkable subjects will be studied. First, the stereochemistry of the H2 addition to d8-Ml planar-square species and the roles of molecular hydrogen complexes in the process. Second the coordination modes of three tetrahydroborato ligands in the metal series scandium, titanium and vanadium. Finally the coupling reaction of CO2 to ethylene in the trans-bis ethylene complexes of molybdenum and tungsten An ultimate goal of this project is to consolidate a research group in Theoretical Organnometallic Chemistry at the UAB. The relationships with one of the most important groups in this field, the Theoretical Chemistry Laboratory of the Paris South University will be relevant in this sense
Effective start/end date1/04/9131/03/92


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