6533b828fe1ef96bd1288dd5
RESEARCH PRODUCT
Triggering dissymmetry in achiral dye molecules by chiral solvents: Circular dichroism experiments and DFT calculations
Marco PassarelloMarco PassarelloVincenzo Turco LiveriSergio AbbateGiovanna Longhisubject
Models MolecularCircular dichroismMolecular ConformationPhotochemistryCatalysisAnalytical ChemistryProchiralityComputational chemistryDrug Discoverycircular dichroism (CD)time-dependent density functional theory (TDDFT)MoleculeColoring AgentsConformational isomerismSpectroscopySettore CHIM/02 - Chimica FisicaPharmacologyChemistryCircular DichroismOrganic ChemistryStereoisomerismCircular dichroism spectradye molecules solvent effectSolventsQuantum TheoryEnantiomerChirality (chemistry)description
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. Chirality, 2011. © 2011 Wiley-Liss, Inc.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-09-26 | Chirality |