Matrix-isolation FT-IR and theoretical investigation of the vibrational properties of the sterically hindered ortho-hydroxy acylaromatic Schiff bases
✍ Scribed by J. Pajak; G. Maes; W.M. De Borggraeve; N. Boens; A. Filarowski
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 372 KB
- Volume
- 844-845
- Category
- Article
- ISSN
- 0022-2860
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✦ Synopsis
FT-IR and FT-Raman spectra of the ortho-hydroxy acylaromatic Schiff bases (2-(a-(N-methylimino)ethyl)-4-chloro-6-nitrophenol -I, 2-(a-(N-methylimino)ethyl)-4,6-dichlorophenol -II), and their isotoposubstitutions have been recorded in the range of 4000-50 cm À1 . 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.