Infrared and ultraviolet spectroscopic characterization of trifluoroacetaldehyde

J. S. Francisco, I. H. Williams

Research output: Contribution to journalArticle

Abstract

Trifluoroacetaldehyde, CF3C(O)H, has been synthesized and purified, and its infrared (4000-600cm-1) and ultraviolet (400-230nm) spectra have been measured. The assignments of the vibration frequencies have been re-examined with the aid of ab initio Hartree-Fock frequency and intensity calculations. A normal coordinate analysis has also been performed with a force field determined at the MP2/6-31G* level. Additionally, the complete equilibrium geometry has been determined at the MP2/6-31G* level and compared to the experimental structure. Peak and integrated absorption cross-sections of the ν1, ν2, ν4 and ν6 fundamental infrared bands of trifluoroacetaldehyde have been measured at 298 K. Ultraviolet absorption cross-sections (230 - 400 nm) have been measured.

Original languageEnglish
Pages (from-to)1433-1441
Number of pages9
JournalMolecular Physics
Volume76
Issue number6
DOIs
Publication statusPublished - 20 Aug 1992

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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