| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5152796 | Journal of Organometallic Chemistry | 2017 | 5 Pages |
Abstract
We report the full characterization of [Ir4(IMe)8H10]2+ (IMe = 1,3-dimethylimidazol-2-ylidene) formed from our Ir(IMe)2 precatalyst during glycerol dehydrogenation. This cluster is unusual in its high number of NHC ligands. We used both DFT and neutron diffraction to locate the hydrides, and the methods give good agreement, validating the computational approach.79
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
![The neutron diffraction structure of [Ir4(IMe)8H10]2+ polyhydride cluster: Testing the computational hydride positional assignments](/preview/png/5152796.png "First Page Preview: The neutron diffraction structure of [Ir4(IMe)8H10]2+ polyhydride cluster: Testing the computational hydride positional assignments")
Authors
Liam S. Sharninghausen, Brandon Q. Mercado, Christina Hoffmann, Xiaoping Wang, Jesus Campos, Robert H. Crabtree, David Balcells,