NMR studies of complex formation between natural cyclodextrins and benzene

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 det...

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Bibliographic Details
Published inJournal of inclusion phenomena and macrocyclic chemistry Vol. 104; no. 3-4; pp. 129 - 136
Main Authors Szczupaj, Gabriela, Wójcik, Jacek, Ejchart, Andrzej, Nowakowski, Michał
Format Journal Article
LanguageEnglish
Published Dordrecht Springer Netherlands 01.04.2024
Springer Nature B.V
Subjects
Benzene
Binding
Chemistry
Chemistry and Materials Science
Complex formation
Crystallography and Scattering Methods
Cyclodextrins
Food Science
Inclusion complexes
NMR spectroscopy
Organic Chemistry
Original Article
Statistical analysis
Stoichiometry
Titration
Cyclodextrins
Inclusion complexes
NMR spectroscopy
NMR titration
Benzene
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Summary: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 1 H NMR spectroscopy in D 2 O at a magnetic field B 0 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.
ISSN:1388-3127
1573-1111
DOI:10.1007/s10847-024-01222-8