Luminescence, chiroptical, magnetic and <i>ab initio</i> crystal-field characterizations of an enantiopure helicoidal Yb( <scp>iii</scp> ) complex
Frédéric Gendron, Sebastiano Di Pietro, Laura Abad Galán, François Riobé, Virginie Placide, Laure Guy, Francesco Zinna, Lorenzo Di Bari, Amina Bensalah‐Ledoux, Y. Guyot, Guillaume Pilet, Fabrice Pointillart, Bruno Baguenard, Stéphan Guy, Olivier Cador, Olivier Maury, Boris Le Guennic
Abstract
The electronic structure of a chiral Yb( <sc>iii</sc> )-based complex is fully determined by taking advantage of experimental magnetic, luminescence, and chiroptical (NIR-ECD and CPL) characterizations in combination with <italic>ab initio</italic> wavefunction calculations.
Topics & Concepts
Enantiopure drugLuminescenceAb initioWave functionCrystallographyAb initio quantum chemistry methodsMaterials scienceMagnetic fieldCrystal (programming language)Molecular physicsChemistryComputational chemistryPhysical chemistryAtomic physicsPhysicsOptoelectronicsMoleculeQuantum mechanicsOrganic chemistryEnantioselective synthesisProgramming languageComputer scienceCatalysisMagnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications