Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study
Bin Li, Blaise L. Geoghegan, Christoph Wölper, George E. Cutsail, Stephan Schulz
Abstract
and accurately reproduced the structural experimental data. It is shown that reduction of the bpy moiety results in a decrease in the β-diketiminate co-ligand bite angle and elongation of the Zn-N(β-diketiminate) bonds, which act cooperatively and in synergy with the bpy ligand by decreasing Zn-N(bpy) bond lengths to stabilize the energy of the LUMO.
Topics & Concepts
ChemistryLigand (biochemistry)RedoxReactivity (psychology)Electron paramagnetic resonanceCrystallographyHOMO/LUMODensity functional theoryMoietyPhotochemistryBipyridineStereochemistryInorganic chemistryComputational chemistryMoleculeOrganic chemistryCrystal structureNuclear magnetic resonancePhysicsMedicineReceptorBiochemistryAlternative medicinePathologyOrganometallic Complex Synthesis and CatalysisMagnetism in coordination complexesMetal complexes synthesis and properties