Abstract
The possibility of using an approach for the elucidation of the spatial structure of functionalized thiacalix[4]arenes based on the determination the residual dipolar coupling constants between the 1H and 13C nuclei separated by one chemical bond (1 D CH) in lyotropic liquid-crystalline media (poly-γ-benzyl-L-glutamate and CDCl3) is demonstrated for the first time. This approach was used to distinguish between the cone and 1,3-alternate conformations of 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(2-oxopropyloxy)-2,8,14,20-tetrathiacalix[4]arene. The results were confirmed by the data from 2D NMR (1H—1H) NOESY experiments for these compounds in an isotropic solvent (CDCl3).
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Klochkov, V.V., Khairutdinov, B.I., Klochkov, A.V. et al. The use of a lyotropic liquid-crystalline medium and residual dipolar coupling constants for determination of the spatial structure of thiacalix[4]arenes in solutions. Russian Chemical Bulletin 53, 1466–1470 (2004). https://doi.org/10.1023/B:RUCB.0000046242.55417.1c
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DOI: https://doi.org/10.1023/B:RUCB.0000046242.55417.1c