کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1334951 | 979487 | 2009 | 5 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: NMR and ab initio studies of Mg2+, Ca2+, Zn2+, Cu2+ alizarin complexes NMR and ab initio studies of Mg2+, Ca2+, Zn2+, Cu2+ alizarin complexes](/preview/png/1334951.png)
Complexation of Mg2+, Ca2+, Zn2+ and Cu2+ with alizarin, characterized by NMR and theoretical studies (DFT, B3LYP/6-31G(d,p) PCM and NMR GIAO B3LYP/IGLOIII), indicated that the metal ion is attached to two hydroxyl groups in a bidentate mode. The alternative complexation in the bidentate mode, with only one hydroxyl group and a carbonyl oxygen, is less possible as it has a higher energy.
Alizarin acts as a bidendate ligand on forming complexes with the metal ions Mg2+, Ca2+, Zn2+ and Cu2+. From the possible structures, the one with the metal attached to two hydroxyl oxygen atoms is of lower energy. A theoretical calculation of the structure of the complex, and NMR parameter analysis lead to the same conclusion.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 28, Issue 11, 6 July 2009, Pages 2201–2205