High field solid state 13C NMR spectroscopy of cucurbituril materials

Solid state 13 C NMR spectra of several cucurbituril materials, CB[ n ] where n = 5, 6, 7 and 8, have been analysed in detail. Where crystal structures are known the complex splitting patterns for the C&z.dbd;O, CH and CH 2 resonances can be directly related to the different site symmetries impo...

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Bibliographic Details
Published in:CrystEngComm 2014, Vol.16 (18), p.3788-3795
Main Authors: Bardelang, David, Brinkmann, Andreas, Ratcliffe, Christopher I, Ripmeester, John A, Terskikh, Victor V, Udachin, Konstantin A
Format: Article
Language:English
Subjects:
Chemical Sciences
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Summary:Solid state 13 C NMR spectra of several cucurbituril materials, CB[ n ] where n = 5, 6, 7 and 8, have been analysed in detail. Where crystal structures are known the complex splitting patterns for the C&z.dbd;O, CH and CH 2 resonances can be directly related to the different site symmetries imposed on the CB molecule by the crystal. Conversely, where the structure is not known the NMR splitting patterns can be used to suggest possible symmetries for the CB, and these could conceivably aid in solving crystal structures. The fact that each structure produces a uniquely different 13 C NMR splitting pattern makes it a useful fingerprinting tool which can be used to detect new phases. Multiple 13 C NMR resonances for the C&z.dbd;O, CH and CH 2 groups in crystalline cucurbituril compounds provide fingerprints for different structures.
ISSN:1466-8033
1466-8033
DOI:10.1039/c3ce42467g