Vibrational spectra of partially oriented molecules having two conformers in nematic and isotropic solutions: furfural and 2-chlorobenzaldehyde.
Spectrochim Acta A Mol Biomol Spectrosc
; 61(7): 1661-70, 2005 May.
Article
in En
| MEDLINE
| ID: mdl-15820900
ABSTRACT
Vibrational analysis of the two conformers of furfural and 2-chlorobenzaldehyde has been carried out on the basis of their IR and Raman spectra measured in isotropic and anisotropic (nematic liquid crystalline) solvent. The average orientation of the individual conformers in the nematic solvent has been determined by means of a recently developed approach for low symmetry planar molecules using DFT calculations of the vibrational transitions moments. The complex shape of the carbonyl band additionally split into several components is interpreted as an effect of Fermi resonance.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Spectrophotometry
/
Benzaldehydes
/
Furaldehyde
Type of study:
Risk_factors_studies
Language:
En
Journal:
Spectrochim Acta A Mol Biomol Spectrosc
Journal subject:
BIOLOGIA MOLECULAR
Year:
2005
Document type:
Article
Affiliation country:
Bulgaria
Publication country:
ENGLAND
/
ESCOCIA
/
GB
/
GREAT BRITAIN
/
INGLATERRA
/
REINO UNIDO
/
SCOTLAND
/
UK
/
UNITED KINGDOM