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Journal of Structural Chemistry

2011 year, number 2

Intermolecular hydrogen BOnding in the complexes of Schiff bases with acetic acid

G. A. Zhurko, V. V. Aleksandriiskii, V. A. Burmistrov
Keywords: Schiff bases, azomethines, benzylidene aniline, quantum chemistry, hydrogen bonding, nuclear Overhauser effect
Pages: 239-242


Quantum chemical calculations are applied to study the structure and energy of the complexes of a series of Schiff bases (SBs) with acetic acid. The results of the calculations give evidence that a weak hydrogen bond occurs between the oxygen atoms of the acid and SB aromatic protons in these complexes along with the CH3СOOH…N=CH Н-bond. The structure of the complexes is confirmed experimentally by measuring the nuclear Overhauser effect. The effect of the properties of SB terminal substituents on the stability of SB-acid complexes is analyzed.