Citation: SONG Xiao-Li, GAO Li-Guo, CAO Wei. Chelation between Luteolin and Cd(Ⅱ) Ion： Spectroscopic Studies and Theoretical Calculations[J]. Chinese Journal of Inorganic Chemistry, ;2013, 29(9): 1985-1992. doi: 10.3969/j.issn.1001-4861.2013.00.278 shu

Chelation between Luteolin and Cd(Ⅱ) Ion： Spectroscopic Studies and Theoretical Calculations

1.
1 College of Chemistry and Chemical Engineering, Yulin University, Yulin, Shaanxi 719000, China;

Received Date: 21 March 2013
Available Online: 10 May 2013
Fund Project: 国家自然科学基金(No.31272510) (No.31272510)陕西省教育厅科学研究计划项目(No.2010JK926)资助项目。 (No.2010JK926)

In order to locate the exact chelation site, the chelation between luteolin and Cd(Ⅱ) ion was studied using theoretical methods. Various complexes, formed by natural and deprotonated luteolin chelating with Cd(Ⅱ) and hydrated Cd(Ⅱ) ion, respectively, were studied by using "Density Functional Theory"(DFT) method. The results indicate that Cd(Ⅱ) ion is connected with luteolin at the 5-hydroxy-4-keto site in the formed complexes and that deprotonated luteolin has stronger chelating power than natural luteolin. The reactivity differences between luteolin and luteolin-Cd(Ⅱ) complexes were observed through comparison of their Conceptual DFT reactivity indices. In addition to the theoretical studies, the experiments were performed to compare with the theoretical conclusions. Meanwhile, luteolin-Cd(Ⅱ) complex was synthesized, and the chelation site was analyzed using IR and UV/Vis spectroscopy. The experimental results have the same conclusions as those by theoretical studies.
- coordination chemistry;coordination compounds;Cd(Ⅱ) ion;luteolin;chelating site;conceptual DFT
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