NMR studies of complex formation between natural cyclodextrins and benzene

IF 2.3 4区化学 Q2 Agricultural and Biological Sciences

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-02-10 DOI:10.1007/s10847-024-01222-8

引用次数: 0

Abstract

Inclusion complexes of benzene (Bz) with cyclodextrins (CD) have been investigated so far using non-NMR techniques in various solvents resulting in conflicting data. Here, the first application of NMR spectroscopy in combination with rigorous statistical analysis of the results has allowed us to determine accurately the stoichiometry of complexes and their association constants. Titration measurements have been performed by ¹H NMR spectroscopy in D₂O at a magnetic field B₀ of 14.1 T. αCD and γCD host molecules form weak 1 : 1 complexes with Bz. In contrast, Bz and βCD build 1 : 1 and 2 : 1 complexes coexisting in solution with large binding constants. Binding of second benzene molecule is strongly cooperative.

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天然环糊精与苯形成络合物的核磁共振研究

摘要迄今为止，人们一直使用非核磁共振技术在各种溶剂中研究苯（Bz）与环糊精（CD）的包合络合物，结果得出的数据相互矛盾。在此，我们首次将核磁共振光谱与对结果的严格统计分析相结合，准确地确定了络合物的化学计量及其结合常数。在 14.1 T 的磁场 B0 下，在 D2O 中通过 1H NMR 光谱进行了滴定测量。相反，Bz 和 βCD 在溶液中形成 1 : 1 和 2 : 1 的复合物，并以较大的结合常数共存。第二个苯分子的结合具有很强的合作性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Inclusion Phenomena and Macrocyclic Chemistry 化学-化学综合

CiteScore

3.30

自引率

8.70%

发文量

审稿时长

3-8 weeks

期刊介绍： The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites. The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.

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