Matrix-isolation FT-IR and theoretical investigation of the vibrational properties of the sterically hindered ortho-hydroxy acylaromatic Schiff bases

J. Pajak, G. Maes, W. M. De Borggraeve, N. Boens, A. Filarowski

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

FT-IR and FT-Raman spectra of the ortho-hydroxy acylaromatic Schiff bases (2-(α-(N-methylimino)ethyl)-4-chloro-6-nitrophenol - I, 2-(α-(N-methylimino)ethyl)-4,6-dichlorophenol - II), and their isotoposubstitutions have been recorded in the range of 4000-50 cm-1. The spectra were interpreted by a normal coordinate analysis based on B3LYP/6-31++G(d,p) density functional calculations and experimental deuterosubstitution. Proton transfer equilibrium between the enolic and keto tautomers of two sterically hindered Schiff bases has been studied combined experimental (FT-IR matrix-isolation and FT-Raman) and theoretical (DFT/B3LYP/6-31++G(d,p)) methods.

Original languageEnglish
Pages (from-to)83-93
Number of pages11
JournalJournal of Molecular Structure
Volume844-845
DOIs
Publication statusPublished - Nov 12 2007
Externally publishedYes

Keywords

  • Acylaromatic
  • Intramolecular hydrogen bond
  • Matrix-isolation
  • Schiff base
  • ortho-Hydroxy ketimine

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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