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

Vincenzo Turco Liveri; Marco Passarello; Sergio Abbate; Giovanna Longhi; France Lebon; Marco Passarello

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

Vincenzo Turco Liveri, Marco Passarello, Sergio Abbate, Giovanna Longhi, France Lebon, Marco Passarello

Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche

Risultato della ricerca: Article › peer review

7 Citazioni (Scopus)

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 calculationsallow to identify two enantiomeric conformers for ROT-300. In vacuo they are equallypopulated; in chiral solvents one enantiomer prevails. Thermodynamic quantities involved inthe chiral preference are derived.

Lingua originale	English
pagine (da-a)	950-955
Numero di pagine	6
Rivista	Chirality
Volume	23
Stato di pubblicazione	Published - 2011

All Science Journal Classification (ASJC) codes

Analytical Chemistry
Catalysis
Pharmacology
Drug Discovery
Spectroscopy
Organic Chemistry

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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 {\textquoteleft}{\textquoteleft}Lumogen F Red{\textquoteright}{\textquoteright}(ROT-300) in four different chiral solvents are recorded at different temperatures. DFT calculationsallow to identify two enantiomeric conformers for ROT-300. In vacuo they are equallypopulated; in chiral solvents one enantiomer prevails. Thermodynamic quantities involved inthe chiral preference are derived.",

keywords = "circular dichroism (CD); time-dependent density functional theory (TDDFT); dye molecules, solvent effect, circular dichroism (CD); time-dependent density functional theory (TDDFT); dye molecules, solvent effect",

author = "{Turco Liveri}, Vincenzo and Marco Passarello and Sergio Abbate and Giovanna Longhi and France Lebon and Marco Passarello",

year = "2011",

language = "English",

volume = "23",

pages = "950--955",

journal = "Chirality",

issn = "0899-0042",

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T1 - Triggering Dissymmetry in Achiral Dye Molecules by Chiral Solvents:Circular Dichroism Experiments and DFT Calculations

AU - Turco Liveri, Vincenzo

AU - Passarello, Marco

AU - Abbate, Sergio

AU - Longhi, Giovanna

AU - Lebon, France

AU - Passarello, Marco

PY - 2011

Y1 - 2011

N2 - The electronic circular dichroism spectra of achiral product ‘‘Lumogen F Red’’(ROT-300) in four different chiral solvents are recorded at different temperatures. DFT calculationsallow to identify two enantiomeric conformers for ROT-300. In vacuo they are equallypopulated; in chiral solvents one enantiomer prevails. Thermodynamic quantities involved inthe chiral preference are derived.

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

KW - circular dichroism (CD); time-dependent density functional theory (TDDFT); dye molecules

KW - solvent effect

KW - circular dichroism (CD); time-dependent density functional theory (TDDFT); dye molecules

KW - solvent effect

UR - http://hdl.handle.net/10447/60080

M3 - Article

VL - 23

SP - 950

EP - 955

JO - Chirality

JF - Chirality

SN - 0899-0042

ER -