Search results for "Prochirality"

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Triggering dissymmetry in achiral dye molecules by chiral solvents: Circular dichroism experiments and DFT calculations

2011

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.

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)Chirality
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