1H NMR titration and quantum calculation for the inclusion complexes of styrene and α-methyl styrene with α, β and γ-cyclodextrins

被引：31

作者：

Cao, YJ

Xiao, XH

Lu, RH ^{[1
]}

Guo, QX

机构：

[1] Chinese Acad Sci, Lanzhou Inst Chem Phys, Lanzhou 730000, Peoples R China

[2] Univ Sci & Technol China, Dept Chem, Anhua 230026, Peoples R China

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2003年 / 660卷 / 1-3期

关键词：

styrene; cyclodextrin complexes; H-1; NMR; quantum calculation;

D O I：

10.1016/j.molstruc.2003.07.011

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The inclusion behavior between styrene (alpha-methyl styrene) and cyclodextrins (CDs) was studied by using H-1 NMR titration in solution. The results indicate that 1: 1 inclusion complexes were formed. The association constants of the inclusion complexes were determined by nonlinear least-square method. The inclusion process was also studied by using PM3 quantum-mechanical semi-empirical method. The calculated results are in agreed with the experimental data. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：73 / 80

页数：8

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