The use and generation of hydrogen as a renewable fuel and feedstock is gaining importance as the pressure to diminish our dependence on fossil fuels grows. Nature has developed elegant methods to activate and utilize hydrogen, especially for the purpose of carbon dioxide CO2 fixation. One such enzyme, mono-[Fe] hydrogenase, uses a unique array of non-proteinaceous ligands to activate H2 and perform hydride transfer to the CO2-carrier substrate, H4MPT+. The iron center is ligated by a unique organometallic pyridone-acyl cofactor, which along with two carbonyls and a Cys-S stabilizes a low-spin Fe(II) center. We have developed a novel anthracene-scaffold ligand the mimics the biological coordination sphere – in both the identity and crucial facial geometry of the CNS donor set. Studies of H2 activation and hydride transfer will be discussed.

Structural + functional models of mono-iron hydrogenase featuring an anthracene scaffold ligand

254th National Meeting (2017)

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