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

Zhurko G.; Aleksandriiskii V.; Burmistrov V.

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

机译：席夫碱与乙酸配合物中的分子间氢键

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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 CH_3 COOH…N=CH H-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.

机译：应用量子化学计算来研究一系列席夫碱（SBs）与乙酸的配合物的结构和能量。计算结果表明，在这些配合物中，酸的氧原子与SB芳族质子之间的氢原子键较弱，并带有CH_3 COOH…N = CH H键。通过测量核Overhauser效应，实验确定了配合物的结构。分析了SB末端取代基的性质对SB-酸配合物稳定性的影响。

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《Journal of structural chemistry》 |2011年第2期|共7页
作者
Zhurko G.; Aleksandriiskii V.; Burmistrov V.;
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正文语种 eng
中图分类结构化学;
关键词
Schiff bases; azomethines; benzylidene aniline; quantum chemistry; hydrogen bonding; nuclear Overhauser effect;

机译：Schiff碱;偶氮甲碱;亚苄基苯胺;量子化学;氢键;核Overhauser效应;

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机译：席夫碱与乙酸配合物中的分子间氢键
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Intermolecular hydrogen bonding in the complexes of Schiff bases with acetic acid

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