Conformational and spectroscopic investigation of 3-hydroxyflavone-aluminium chelates

被引：82

作者：

Boudet, AC ^{[1
]}

Cornard, JP ^{[1
]}

Merlin, JC ^{[1
]}

机构：

[1] Univ Sci & Tech Lille Flandres Artois, CNRS, UMR 8516, LASIR, F-59655 Villeneuve Dascq, France

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2000年 / 56卷 / 04期

关键词：

3-hydroxyflavone; Al(III); complexation; stoichiometry; spectrophotometry; NMR spectrometry; vibrational spectrometry; conformation; AM1;

D O I：

10.1016/S1386-1425(99)00284-X

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

3-Hydroxyflavone (3HF), which is the simplest molecule of the flavonol class, possesses chelating properties towards Al(III). Spectrophotometric methods have shown that the 3HF molecule forms an Al(3HF)(2) complex in purl methanol. The structure of this complex, obtained by quantum semi-empirical AM1 method, indicated that complexed 3HF adopts a pyronium form. Structural and electronic modifications induced by chelation are illustrated by the important frequency shifts observed between free and complexed 3HF FT- Raman spectra and by the chemical shifts variations in the C-13 NMR spectra of the two species. Complexes with the same stoichiometry were formed when AcO- or MeO- are present in the medium. However, in acidic medium the chelate composition is Al-2(3HF). (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：829 / 839

页数：11

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