D-樟脑与β-环糊精包合物的结构表征

doi:10.11938/cjmr20150110

波谱学杂志 ›› 2015, Vol. 32 ›› Issue (1): 87-94.doi: 10.11938/cjmr20150110

D-樟脑与β-环糊精包合物的结构表征

朱庆英*，何佩芝

惠州学院化学工程系，广东惠州 516007

收稿日期:2014-06-26 修回日期:2015-01-08 出版日期:2015-03-05 发布日期:2015-03-05
作者简介:朱庆英(1975-)，女，江苏宜兴人，硕士研究生，讲师，粮油专业.电话：13516681806，E-mail: zqy@hzu.edu.cn; zqy-hz@126.com

Structural Elucidation of D-Camphor and β-Cyclodextrin Inclusion Complex

ZHU Qing-ying*，HE Pei-zhi

Department of Chemistry, Huizhou College, Huizhou 516007, China

Received:2014-06-26 Revised:2015-01-08 Online:2015-03-05 Published:2015-03-05
About author:*Corresponding author：ZHU Qing-ying, Tel: +86-13516681806, E-mail: zqy-hz@126.com; zqy@hzu.edu.cn.

摘要/Abstract

摘要：

采用饱和水溶液搅拌法制备β-环糊精(β-CD)/D-樟脑包合物．¹H NMR 确定了β-CD与D-樟脑形成包合物的化学计量比为1∶1．X-射线衍射图谱和红外光谱图证明D-樟脑和β-CD 分子间的相互作用．¹H ROESY NMR 分析结果说明包合物的结构型式是D-樟脑的二环[2.2.1]-2-庚酮位于β-CD 空腔内，其三甲基部分位于β-CD 空腔外．通过量子化学计算得到形成β-CD/D-樟脑包合物最低结合能和结构优化状态，氢健的存在证实了上述分析结果的准确性．

关键词: 核磁共振(NMR), 包合物, β-环糊精(β-CD), D-樟脑

Abstract:

Inclusion complex of β-cyclodextrin (β-CD) and D-camphor was prepared from saturated solution with stirring. The stoichiometric ratio of the inclusion complex was found to be 1∶1, as indicated by the 1H NMR results. XRD and FTIR spectroscopy was used to probe the intermolecular interactions between D-camphor and β-CD. 1H ROESY NMR results showed that the bicyclo[2.2.1]-2-heptanone of D-camphor was located in the cavity of β-CD, and its methyl group was partially outside. Quantum chemical calculation was used to obtain minimized binding energy and optimized structure, suggesting the
presence of hydrogen bonding.

Key words: NMR, inclusion complex, β-cyclodextrin, D-camphor

中图分类号:

O636

朱庆英*，何佩芝. D-樟脑与β-环糊精包合物的结构表征[J]. 波谱学杂志, 2015, 32(1): 87-94.

ZHU Qing-ying*，HE Pei-zhi. Structural Elucidation of D-Camphor and β-Cyclodextrin Inclusion Complex[J]. Chinese Journal of Magnetic Resonance, 2015, 32(1): 87-94.

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D-樟脑与β-环糊精包合物的结构表征

Structural Elucidation of D-Camphor and β-Cyclodextrin Inclusion Complex

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