Experimental Evidence for Non‐Fermi‐Contact <i>J</i> Coupling Across Chalcogen Bonds in Ionic Salt Cocrystal Polymorphs-Reference-Cited by-同舟云学术

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

Published:2024-04-11 Issue:21 Volume:63 Page:
ISSN:1433-7851
Container-title:Angewandte Chemie International Edition
language:en
Short-container-title:Angew Chem Int Ed

Author:

Nag Tamali¹^ORCID,Terskikh Victor V.²^ORCID,Bryce David L.¹^ORCID

Affiliation:

1. Department of Chemistry and Biomolecular Sciences University of Ottawa Ottawa, Ontario Canada K1H 5H5

2. Metrology National Research Council Canada Ottawa, Ontario Canada K1A 0R6

Abstract

AbstractA 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(125Te,79/81Br) coupling tensors, providing unequivocal evidence for non‐Fermi contact contributions across ChBs. Along with large 79/81Br quadrupolar couplings for the Br− anions, these data provide new tools to characterize chalcogen bonds and to differentiate between ChB polymorphs.

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

Wiley

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202402441

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