A variety of organic hydride donors (OHDs) have been tested as reagents for the transfer of hydride to iron formato complexes in the activation and reduction of carbon dioxide. Theoretical… Click to show full abstract
A variety of organic hydride donors (OHDs) have been tested as reagents for the transfer of hydride to iron formato complexes in the activation and reduction of carbon dioxide. Theoretical calculations show that the selection of OHD and solvent is crucial when planning systems involving OHD cooperativity. Strong consideration is given to the likelihood that metal centers may deactivate formate to hydride attack, since, in general, the formate group has more resonance stabilization energy when complexed to a metal center compared to an organoformate or formic acid. It is experimentally demonstrated that 1,2-dihydropyridine is not a competent reducing agent for carbon dioxide.
               
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