Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High- Energy X-ray Scattering and EXAFS Spectroscopy.

The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-p-O cores and termin...

Full description

Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 138; no. 17; pp. 5511 - 5515
Main Authors:	Yang, Ke R., Matula, Adam J., Gihan Kwon, Jiyun Hong, Sheehan, Stafford W., Thomsen, Julianne M., Brudvig, Gary W., Crabtree, Robert H., Tiede, David M., Chen, Lin X., Batista, Victor S.
Format:	Article
Published:	American Chemical Society 5/4/2016
Subjects:	Oxidation of water Iridium catalysts Density functional theory X-ray scattering Extended X-ray absorption fine structure Partial oxidation
Online Access:	View this record in EBSCOhost