Hyper-CEST NMR of metal organic polyhedral cages reveals hidden diastereomers with diverse guest exchange kinetics.

Nat Commun · 2022 · PMC8971460 · PMID 35361759

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an obvious trendno p-value reported

Despite the density functional theory (DFT) computed 129 Xe chemical shifts for a few low energy structures of the conformational search are overestimated (see Section 13.3 in Supplementary material) , there is an obvious trend of δ ( T ) < δ ( C 3 ) < δ ( S 4 ).

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