Spectroscopic and electrochemical characterization of a Pr<sup>4+</sup> imidophosphorane complex and the redox chemistry of Nd<sup>3+</sup> and Dy<sup>3+</sup> complexes
Natalie T. Rice, Ivan A. Popov, Rebecca K. Carlson, Samuel M. Greer, Andrew C. Boggiano, Benjamin W. Stein, John Bacsa, Enrique R. Batista, Ping Yang, Henry S. La Pierre
Abstract
UV-vis and EPR experiments is further validated by theoretical modeling of the redox chemistry and the UV-vis spectrum. The latter study was performed by extended multistate pair-density functional theory (XMS-PDFT) and implicates a multiconfigurational ground state for the tetravalent praseodymium complex.
Topics & Concepts
PraseodymiumChemistryRedoxCyclic voltammetryElectron paramagnetic resonanceElectrochemistryOxidation stateSpectroscopyAbsorption spectroscopyInorganic chemistryElectronic structureMetalPhysical chemistryLigand (biochemistry)CrystallographyComputational chemistryNuclear magnetic resonanceElectrodeOrganic chemistryReceptorBiochemistryPhysicsQuantum mechanicsOrganometallic Complex Synthesis and CatalysisLanthanide and Transition Metal ComplexesMagnetism in coordination complexes