title: Triggering dissymmetry in achiral dye molecules by chiral solvents: Circular dichroism experiments and DFT calculations.
abstract: 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.
authors.affiliation: Dipartimento di Scienze Biomediche e Biotecnologie, Università di Brescia, Viale Europa 11, 25123 Brescia, Italy; CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma, Italy. abbate@med.unibs.it.
authors.forename: Sergio
authors.initials: S
authors.lastname: Abbate
authors.forename: France
authors.initials: F
authors.lastname: Lebon
authors.forename: Giovanna
authors.initials: G
authors.lastname: Longhi
authors.forename: Marco
authors.initials: M
authors.lastname: Passarello
authors.forename: Vincenzo Turco
authors.initials: VT
authors.lastname: Liveri
mesh_terms: D002942:Circular Dichroism; D004396:Coloring Agents / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory; D012997:Solvents / Q000737:chemistry*; D013237:Stereoisomerism
chemical_list: D004396:Coloring Agents; D012997:Solvents