SCHEDULED MAINTENANCE
Luminescence, chiroptical, magnetic and ab initio crystal-field characterizations of an enantiopure helicoidal Yb(iii) complex†
‡a
Sebastiano
Di Pietro,
‡b
Laura
Abad Galán,
b
François
Riobé,
b
Laure
Guy,
b
Francesco
Zinna,
c
Lorenzo
Di Bari,
*c
Amina
Bensalah-Ledoux,
d
Yannick
Guyot,
d
Guillaume
Pilet,
e
Fabrice
Pointillart,
a
Stephan
Guy,
*d
Olivier
Cador,
a
Olivier
Maury
*b
and
Boris
Le Guennic
*a
Abstract
The electronic structure of a chiral Yb(III)-based complex is fully determined by taking advantage of experimental magnetic, luminescence, and chiroptical (NIR-ECD and CPL) characterizations in combination with ab initio wavefunction calculations. The combined use of these techniques allows determining with high resolution the electronic structure diagram as well as the nature of the different states involved in the magnetic and chiroptical properties of the investigated complex. The crystal-field picture deduced from spectroscopic measurements (absorption and emission) is used to reproduce the magnetic properties. Subsequently, advanced ab initio calculations demonstrate that global chiroptical spectra correspond to the sum of entangled transitions with similar or opposite polarizations.
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