Repozytorium

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

Autorzy

Joanna Pająk

G. Maes

W. M. De Borggraeve

Noel Boens

Aleksander Filarowski

Rok wydania

2007

Czasopismo

Journal of Molecular Structure

Numer woluminu

844-845

Strony

83-93

DOI

10.1016/j.molstruc.2007.04.004

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

FT-IR and FT-Raman spectra of theortho-hydroxy acylaromaticSchiffbases (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 cm1. Thespectra were interpreted by a normal coordinate analysis based on B3LYP/6-31++G(d,p) density functional calculations andexperimental deuterosubstitution. Proton transfer equilibrium between the enolic and keto tautomers of two sterically hinderedSchiffbases has been studied combined experimental (FT-IR matrix-isolation and FT-Raman) and theoretical (DFT/B3LYP/6-31++G(d,p)) methods.

Słowa kluczowe

Intramolecular hydrogen bond, ortho-Hydroxy ketimine, Acylaromatic, Schiff base, Matrix-isolatio

Adres publiczny

https://doi.org/10.1016/j.molstruc.2007.04.004

Strona internetowa wydawcy

http://www.elsevier.com

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