TY - JOUR
T1 - Matrix-isolation FT-IR and theoretical investigation of the vibrational properties of the sterically hindered ortho-hydroxy acylaromatic Schiff bases
AU - Pajak, J.
AU - Maes, G.
AU - De Borggraeve, W. M.
AU - Boens, N.
AU - Filarowski, A.
N1 - Funding Information:
J.P. acknowledges the K.U. Leuven Research Council for a Research Fellowship. A.F. acknowledges the bilateral collaboration Poland-Flanders (BIL/05/16). W.M.D.B. thanks the F.W.O.-Vlaanderen for a postdoctoral fellowship.
PY - 2007/11/12
Y1 - 2007/11/12
N2 - 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.
AB - 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.
KW - Acylaromatic
KW - Intramolecular hydrogen bond
KW - Matrix-isolation
KW - Schiff base
KW - ortho-Hydroxy ketimine
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U2 - 10.1016/j.molstruc.2007.04.004
DO - 10.1016/j.molstruc.2007.04.004
M3 - Article
AN - SCOPUS:35348859013
SN - 0022-2860
VL - 844-845
SP - 83
EP - 93
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
ER -