Triggering dissymmetry in achiral dye molecules by chiral solvents: Circular dichroism experiments and DFT calculations
| Autor: | Marco Passarello, Vincenzo Turco Liveri, Sergio Abbate, Giovanna Longhi |
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| Přispěvatelé: | ABBATE, S, LEBON, F, LONGHI, G, PASSARELLO, M, Turco Liveri, V |
| Rok vydání: | 2011 |
| Předmět: |
Models
Molecular Circular dichroism Molecular Conformation Photochemistry Catalysis Analytical Chemistry Prochirality Computational chemistry Drug Discovery circular dichroism (CD) time-dependent density functional theory (TDDFT) Molecule Coloring Agents Conformational isomerism Spectroscopy Settore CHIM/02 - Chimica Fisica Pharmacology Chemistry Circular Dichroism Organic Chemistry Stereoisomerism Circular dichroism spectra dye molecules solvent effect Solvents Quantum Theory Enantiomer Chirality (chemistry) |
| Zdroj: | Chirality. 23:910-915 |
| ISSN: | 0899-0042 |
| DOI: | 10.1002/chir.21012 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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