Experimental and theoretical study of Zn(II) complexation with ceftriaxone

被引：0
|
作者：
M. N. Mayakova
V. G. Alekseev
机构：
[1] Tver State University,
来源：
Russian Journal of Inorganic Chemistry | 2016年 / 61卷
关键词：
Ceftriaxone; Thiazole; Aminothiazole; Enolate Group; Monoligand Complex;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Complexation of Zn2+ cations with antibiotic ceftriaxone anions (Ctx2–) has been studies by pH-metric titration at 25°С and a ionic strength of 0.1 (KNO3). The formation of the ZnCtx complex has been revealed, and logβ(ZnCtx) = 4.45 ± 0.09 has been calculated. The computer model of the complex has been calculated by the DFT method with the use of the B3LYP hybrid functional and the LACV3P**+ basis set. According to these calculations, Zn(II) in the complex has the coordination number 4 and a nearly tetrahedral coordination sphere and is coordinated to Ctx2– through carboxylate, β-lactam, and hydroxytriazinone oxygen atoms and the thiazole nitrogen atom. Formation of the chelate structure accounts for the high stability of the complex.
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页码：314 / 316
页数：2
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