Vibrational spectra of partially oriented molecules having two conformers in nematic and isotropic solutions: Furfural and 2-chlorobenzaldehyde

M. Rogojerov, G. Keresztury, B. Jordanov

Research output: Contribution to journalArticle

39 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)1661-1670
Number of pages10
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume61
Issue number7
DOIs
Publication statusPublished - May 1 2005

Keywords

  • 2-Chlorobenzaldehyde
  • Furfural
  • Linear dichroism spectra
  • Nematic solutions
  • Orientational parameters

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

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