Water oxidation through a seven-coordinated Ruthenium(V)–oxo Complex
Project Description:
Water oxidation is a fundamental process in our world. We are now interested in the artificial water oxidation catalyst(WOC) design especially through a seven-coordinated Ruthenium(V)-oxo intermediate. This Project will focus on mechanism studies and ligand designs of this seven-coordinated platform. The outcomes would be a understanding of the mechanism behind and using it to create better artificial WOCs.
Project Duration:
09/2015 to 08/2019
Project Significance:
1) To have Mechanism study of this system using different oxidant.
2) To have a screening of axial ligands for improving the efficiency and the robusticity.
3) To find other possible transition-metals that can generate seven-coordinated oxo system.
Remarks:
Computational method is useful to predict thermodynamic and kinetic properties of the systems ,especially identifications of the transition-states.
This tools can also perform a screening of different ligand design before doing real experiments ,that can reduce a lot of synthesis work.
The mechanism study will provide a further direction of catalytic system design.