Experimental Evidence for Non-Fermi-Contact J Coupling Across Chalcogen Bonds in Ionic Salt Cocrystal Polymorphs.

Autor: Nag T; Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, Canada, K1H 5H5., Terskikh VV; Metrology, National Research Council Canada, Ottawa, Ontario, Canada, K1A 0R6., Bryce DL; Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, Canada, K1H 5H5.
Jazyk: angličtina
Zdroj: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2024 May 21; Vol. 63 (21), pp. e202402441. Date of Electronic Publication: 2024 Apr 11.
DOI: 10.1002/anie.202402441
Abstrakt: A pair of novel polymorphic ionic cocrystals of 3,4-dicyanotelluradiazole and tetraphenylphosphonium bromide are synthesized and are characterized by single-crystal XRD. Strong and directional non-covalent chalcogen bonds (ChB) between Te and Br are analyzed via solid-state NMR to reveal large and anisotropic J( 125 Te, 79/81 Br) coupling tensors, providing unequivocal evidence for non-Fermi contact contributions across ChBs. Along with large 79/81 Br quadrupolar couplings for the Br - anions, these data provide new tools to characterize chalcogen bonds and to differentiate between ChB polymorphs.
(© 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.)
Databáze: MEDLINE
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