H NMR titration and quantum calculation for the inclusion complexes of styrene and α-methyl styrene with α, β and γ-cyclodextrins |
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| Authors: | Yujuan Cao Xiaohua Xiao Runhua Lu Qingxiang Guo |
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| Institution: | a Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China;b Department of Chemistry, University of Science and Technology of China, Hefei, 230026, China |
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| Abstract: | The inclusion behavior between styrene (α-methyl styrene) and cyclodextrins (CDs) was studied by using 1H 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. |
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| Keywords: | Styrene Cyclodextrin complexes 1H NMR Quantum calculation |
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