Structure and vibrational spectra of the enol form of hexafluoro-acetylacetone. A density functional theoretical study

Molecular and vibrational structure of 1,1,1,6,6,6-hexafluoropentane-2,4-dione (hexafluoro-acetylacetone) have been investigated by means of density functional theory (DFT) calculations and have been compared with those of acetylacetone, the parent molecule. According to the theoretical calculations...

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Veröffentlicht in:	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2002-06, Vol.58 (8), p.1669-1679
Hauptverfasser:	Tayyari, Sayyed Faramarz, Milani-Nejad, Fereydoon, Rahemi, Hedayat
Format:	Artikel
Sprache:	eng
Schlagworte:	1,1,1,6,6,6-Hexafluoropentane-2,4-dione Acetone - analogs & derivatives Acetone - chemistry Density functional theory Fluorocarbons - chemistry Hexafluoro-acetylacetone Molecular Conformation Molecular Structure Spectrophotometry, Infrared Spectrum Analysis, Raman Thermodynamics Vibration Vibrational spectra
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