Inclusion complexation of chloropropham with beta-cyclodextrin: Preparation, characterization and molecular modeling

文献类型： 外文期刊

第一作者： Ge, Xia

作者： Ge, Xia;He, Jiang;Qi, Fengming;Yang, Ying;Lu, Ruihua;Huang, Lizhen;Ge, Xia;Huang, Zheng

作者机构：

关键词： Chloropropham;beta-Cyclodextrin;Inclusion complex;Water solubility;Thermal stability;Molecular modeling

期刊名称：SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY （ 影响因子：4.098； 五年影响因子：3.464 ）

ISSN： 1386-1425

年卷期： 2011 年 81 卷 1 期

页码：

收录情况： SCI

摘要： An inclusion complex between the agrochemical chloropropham (CIPC) and beta-cyclodextrin (beta-CD) was prepared. A 2:1 host-guest stoichiometry was conformed by elemental analysis. From the phase solubility studies, the calculated stepwise stability constants were K(1)= 224.6 L/mol and K(2) = 939.2 L/mol. respectively. FT-IR, thermoanalysis and (1)H NMR spectra were applied to characterize the complex. It was speculated that the inclusion mode was two beta-CD cavities included the chlorophenyl and the isopropyl moiety of one CIPC molecule, which was in agreement with the most predominant configuration optimized by molecular modeling. By complexation with beta-CD, the water solubility and the thermal stability of CIPC were prominently improved. (C) 2011 Elsevier B.V. All rights reserved.

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