Inclusion complexation of chloropropham with beta-cyclodextrin: Preparation, characterization and molecular modeling
文献类型： 外文期刊
作者： Ge, Xia 1 ; He, Jiang 1 ; Qi, Fengming 1 ; Yang, Ying 1 ; Huang, Zheng 2 ; Lu, Ruihua 1 ; Huang, Lizhen 1 ;
作者机构： 1.Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China
2.Gansu Acad Agr Sci, Inst Agr Prod Storage & Proc, Lanzhou 730070, Peoples R China
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 （ 2020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
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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