Saturday, March 17, 2012

Pendant Amine Bases Speed up Proton Transfers to Metals by Splitting the Barriers

Pendant Amine Bases Speed up Proton Transfers to Metals by Splitting the Barriers:
Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2CC00044J, Communication
Ying Wang, Mei Wang, Licheng Sun, Marten Ahlquist
By using density functional theory on [FeFe]-hydrogenase mimics we find that pendant amine bases speed up the proton transfer to and from metal centers by dividing the high free energy...
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