| Research of Inclusion Complexation of 4,4＇-Thiodiphenol Effected by β-Cyclodextrin in Aqueous Solutions and the Effect on Photodegradation |
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| 作者姓名： | ZHANG Xu WU Feng WANG Beibei DENG Nansheng LUO Mingdao |
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| 作者单位： | [1]School of Resource and Environmental Science, Wuhan University, Wuhan 430079, Hubei, China [2]College of Chemistry and Molecular Science, Wuhan University, Wuhan 430072, Hubei, China |
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| 基金项目： | Supported by the National Natural Science Foundation of China （20177017 and 20477031）. |
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| 摘 要： | The inclusion behavior of 4, 4＇ -Thiodiphenol （TDP）, a typical bisphenol and endocrine disruptor, reacts with β-cyclodextrin （β-CD） in aqueous solutions has been investigated by means of UV absorption spectrum and quantum-chemical calculation with Gaussian 98 software. The results show that the inclusion behavior of TDP is quite different in acidic solutions （pH 5.9） from that in alkaline solutions （pH 10.0）. This behavior difference is attributed to the different formula structures in aqueous solutions at acidic and alkaline pH values that are demonstrated by quantum- chemical modeling and calculation. TDP forms a 1 ： 1 fl-CD inclusion complex in aqueous solutions. The equiiibrium constant K was calculated to be 553.49 L/mol at pH 5.9 and 1 318.20 L/mol at pH 10.0 respectively for the inclusion complex reaction by using the modified Benesi-Heldbrand equation. After inclusion TDP＇s structure is changed especially at the inclusion part with the bond order becoming larger, which results in inhibitive photodegradation during direct photooxidation and H2O2 assisted photooxidation.
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| 关 键 词： | 4 4＇-硫代联苯酚 包合配位作用 β-环式糊精 水溶液 光降解 |
| 文章编号： | 1007-1202（2007）03-0535-06 |
| 收稿时间： | 9 July 2006 |
| 修稿时间： | 2006-07-09 |
Research of inclusion complexation of 4,4′-Thiodiphenol effected by <Emphasis Type="Italic">β</Emphasis>-cyclodextrin in aqueous solutions and the effect on photodegradation |
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| ZHANG Xu WU Feng WANG Beibei DENG Nansheng LUO Mingdao.Research of inclusion complexation of 4,4′-Thiodiphenol effected by β-cyclodextrin in aqueous solutions and the effect on photodegradation[J].Wuhan University Journal of Natural Sciences,2007,12(3):535-540. |
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| Authors: | Zhang Xu Wu Feng Wang Beibei Deng Nansheng Luo Mingdao |
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| Institution: | (1) School of Resource and Environmental Science, Wuhan University, Wuhan, 430079, Hubei, China;(2) College of Chemistry and Molecular Science, Wuhan University, Wuhan, 430072, Hubei, China |
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| Abstract: | The inclusion behavior of 4,4′-Thiodiphenol (TDP), a typical bisphenol and endocrine disruptor, reacts with β-cyclodextrin (β-CD) in aqueous solutions has been investigated by means of UV absorption spectrum and quantum-chemical calculation with Gaussian
98 software. The results show that the inclusion behavior of TDP is quite different in acidic solutions (pH 5.9) from that
in alkaline solutions (pH 10.0). This behavior difference is attributed to the different formula structures in aqueous solutions
at acidic and alkaline pH values that are demonstrated by quantum-chemical modeling and calculation. TDP forms a 1: 1 β-CD inclusion complex in aqueous solutions. The equilibrium constant K was calculated to be 553.49 L/mol at pH 5.9 and 1 318.20
L/mol at pH 10.0 respectively for the inclusion complex reaction by using the modified Benesi-Heldbrand equation. After inclusion
TDP’s structure is changed especially at the inclusion part with the bond order becoming larger, which results in inhibitive
photodegradation during direct photooxidation and H2O2 assisted photooxidation.
Biography: ZHANG Xu (1983–), male, Ph.D. candidate, research direction: aquatic environmental chemistry and computer chemistry. |
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| Keywords: | β -cyclodextrin inclusion complex photodegradation PM3 method |
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