Stabilization of hydrated Ac<sup>III</sup> cation: the role of superatom states in actinium-water bonding
Yang Gao, Payal Grover, Georg Schreckenbach
Abstract
The stable 9-coordinated complex adopts a closed-shell 18-electron configuration of a 1<italic>S</italic><sup>2</sup>1<italic>P</italic><sup>6</sup>1<italic>D</italic><sup>10</sup> jellium state, while potential 10-coordinated complexes need to overcome an energy barrier (>0.10 eV) caused by hydrogen bonding to convert to 9-coordination.
Topics & Concepts
SuperatomChemistryJelliumCrystallographyAtomic physicsPhysicsElectronic structureComputational chemistryMetalOrganic chemistryOrganometallic Complex Synthesis and CatalysisLanthanide and Transition Metal ComplexesInorganic Chemistry and Materials