| Autor: |
Harris RM; Department of Chemistry, Johns Hopkins University; Baltimore, Maryland 21218, United States., Zhu Z; Department of Chemistry, Johns Hopkins University; Baltimore, Maryland 21218, United States., Deepika; Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284, United States., Tufekci BA; Department of Chemistry, Johns Hopkins University; Baltimore, Maryland 21218, United States., Peterson K; Department of Chemistry, Washington State University, Pullman, Washington 99164, United States., Jena P; Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284, United States., Bowen KH; Department of Chemistry, Johns Hopkins University; Baltimore, Maryland 21218, United States. |
| Abstrakt: |
Here, anion photoelectron spectroscopy and first-principles quantum chemistry are used to demonstrate to what degree Au can act as a surrogate for F in UF 6 and its anion. Unlike UF 6 , UAu 6 exhibits strong ligand-ligand, i.e., Au-Au, interactions, resulting in three low-lying isomers, two of which are three-dimensional while the third isomer has a ring-like quasi two-dimensional structure. Additionally, all the UAu 6 isomers have open-shell electrons, which in nearly all cases are localized on the central U atom. The adiabatic electron affinity and vertical detachment energy are measured to be 3.05 ± 0.05 and 3.28 ± 0.05 eV, respectively, and are in very good agreement with calculations. |
