Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes
Liane M. Moreau, Ekaterina Lapsheva, Jorge Iván Amaro-Estrada, Michael R. Gau, Patrick J. Carroll, Brian C. Manor, Yusen Qiao, Qiaomu Yang, Wayne W. Lukens, Dimosthenis Sokaras, Eric J. Schelter, Laurent Maron, Corwin H. Booth
Abstract
Ce[double bond, length as m-dash]N) of the complex, and can also be fine-tuned based on varying alkali metal cation capping species. This system therefore provides a platform for understanding the characteristic nature of Ce multiple bonds and potential impact that the associated d-state distribution may have on resulting reactivity.
Topics & Concepts
Mixing (physics)CrystallographyChemical physicsChemistryMaterials scienceComputational chemistryPhysicsQuantum mechanicsOrganometallic Complex Synthesis and CatalysisLanthanide and Transition Metal ComplexesMagnetism in coordination complexes