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

被引：0
|
作者：
Mayakova, M. N. [1 ]
Alekseev, V. G. [1 ]
机构：
[1] Tver State Univ, Ul Zhelyabova 33, Tver 170100, Russia
来源：
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY | 2016年 / 61卷 / 03期
关键词：
ANTIBACTERIAL ACTIVITY; METAL-COMPLEXES; IONS; NICKEL(II); COBALT(II); CEPHALOSPORINS; PENICILLINS; ZINC(II); LIGAND;
D O I：
10.1134/S0036023616030177
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Complexation of Zn2+ cations with antibiotic ceftriaxone anions (Ctx(2-)) has been studies by pH-metric titration at 25A degrees D and a ionic strength of 0.1 (KNO3). The formation of the ZnCtx complex has been revealed, and log beta(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 Ctx(2-) through carboxylate, beta-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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收藏
页码：314 / 316
页数：3
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