Methane activation by heteronuclear diatomic AuRh<sup>+</sup>cation: comparison with homonuclear Au<sub>2</sub><sup>+</sup>and Rh<sub>2</sub><sup>+</sup>
Mengmeng Wang, Yan‐Xia Zhao, Xunlei Ding, Wei Li, Sheng‐Gui He
Abstract
. Our theoretical results demonstrate that Rh is responsible for the high reactivity, while Au leads to selectivity, which may be caused by the unique intrinsic bonding properties of the metals.
Topics & Concepts
Homonuclear moleculeHeteronuclear moleculeDiatomic moleculeChemistryPhysicsPhysical chemistryAtomic physicsNuclear magnetic resonanceNuclear magnetic resonance spectroscopyMoleculeOrganic chemistryCatalytic Processes in Materials ScienceAdvanced Chemical Physics StudiesLanthanide and Transition Metal Complexes