Triggering Dissymmetry in Achiral Dye Molecules by Chiral Solvents:Circular Dichroism Experiments and DFT Calculations

The electronic circular dichroism spectra of achiral product ‘‘Lumogen F Red’’
(ROT-300) in four different chiral solvents are recorded at different temperatures. DFT calculations
allow to identify two enantiomeric conformers for ROT-300. In vacuo they are equally
populated; in chiral solvents one enantiomer prevails. Thermodynamic quantities involved in
the chiral preference are derived.