Dalton Trans., 2011, Advance Article
DOI: 10.1039/C1DT10660K, Paper
DOI: 10.1039/C1DT10660K, Paper
Laia Vilella, Pietro Vidossich, David Balcells, Agusti Lledos
A DFT(B3LYP) study on Ir-catalyzed water oxidation shows that the energy barrier associated with the critical O-O bond formation step is lowered by increasing the basicity of the ancillary ligands.
The role of M-C bonds to stabilizing M=O and M-OOH bonds is possibly relevant to our collaboration with Gewirth group.
A DFT(B3LYP) study on Ir-catalyzed water oxidation shows that the energy barrier associated with the critical O-O bond formation step is lowered by increasing the basicity of the ancillary ligands.
The role of M-C bonds to stabilizing M=O and M-OOH bonds is possibly relevant to our collaboration with Gewirth group.
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