The Intermolecular NOE Depends on Isotope Selection: Short Range vs Long Range Behavior

The nuclear Overhauser effect (NOE) is a powerful tool in molecular structure elucidation, combining the subtle chemical shift of NMR and three-dimensional information independent connectivity. Its usage for intermolecular studies, however, fundamentally limited by an unspecific long-ranged interaction behavior. This joint experimental computational work shows that proper selection interacting isotopes can overcome these limitations: Isotopes with strongly differing gyromagnetic ratios give rise to short-ranged NOEs. In this light, existing NOE experiments need be re-evaluated future ones designed accordingly. Thus, new chapter on elucidation opened.