An Internuclear J-Coupling of 3He Induced by Molecular Confinement
- 18 September 2020
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 142 (40), 16926-16929
- https://doi.org/10.1021/jacs.0c08586
Abstract
The solution-state 13C NMR spectrum of the endofullerene [email protected] displays a doublet structure due to a J-coupling of magnitude 77.5 ± 0.2 mHz at 340K between the 3He nucleus and a 13C nucleus of the enclosing carbon surface. The J-coupling increases in magnitude with increasing temperature. Quantum chemistry calculations successfully predict the approximate magnitude of the coupling. This observation shows that the mutual proximity of molecular or atomic species is sufficient to induce a finite scalar nuclear spin-spin coupling, providing that translational motion is restricted by confinement. The phenomenon may have applications to the study of surface interactions and to mechanically bound species.Funding Information
- Engineering and Physical Sciences Research Council (EP/K00509X/1, EP/P009980/1, EP/P030491/1, EP/T004320/1)
- H2020 Marie Sklodowska-Curie Actions (891400)
- H2020 European Research Council (786707)
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