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Cross-Coupling The majority of cross-coupling reactions currently rely on the use of precious transition metals in the “platinum group” (Ru, Rh, Pd, Os, Ir and Pt), which can be damaging to the environment and are expensive. Current experimental research trends, therefore, evidence a large drive to replace these metals with more abundant and less toxic first-row (3d) transition metals, to enable more sustainable and economical complexes and catalysts. Through computational studies focused on understanding catalytic cycles for platinum group complexes (and their varied reactions) the same processes and properties will be adapted for equivalent first-row organometallic catalysts. The coupling of an aryl halide with an amine in the Buchwald-Hartwig amination reaction is the initial focus of these studies. Publications:
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