Vibrational spectroscopic study of dehydroacetic acid and its cinnamoyl pyrone derivatives

Ferenc Billes, Lenka Elečková, Hans Mikosch, Vasil Andruch

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The infrared and Raman spectra of dehydroacetic acid and some of its derivatives were measured. The assignments of the vibrational bands were based on quantum chemical calculations and normal coordinate analysis. The optimized structures, atomic net charges and dipole moments of the investigated molecules were also results of our quantum chemical calculations. The analysis of the last properties made possible a deeper insight into the structure and substituent effect on the investigated molecules. One of them is presented in the graphical abstract.

Original languageEnglish
Pages (from-to)97-112
Number of pages16
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume146
DOIs
Publication statusPublished - Jul 5 2015

Keywords

  • Atomic net charges
  • Infrared and Raman spectra
  • Optimized structure
  • Quantum chemical calculations
  • Substituent effects
  • α-Pyron derivatives

ASJC Scopus subject areas

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

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