The hydrogenation and dehydrogenation of organic molecules is a key step in the functionalisation of organic molecules. Transition metal complexes have been the needed catalyst for achieving these reactions.
The mechanism for this reaction is assumed to be rather simple involving coordination of the organic molecule to an unsaturated metal and beta hydride migration. Using the computational studies of various situations, it will be shown that other processes are possible.
This opens new perspectives to achieve these important processes.
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Almløf-Gropen lecture The 21st Century Solar Army