engleski

NMR Insights into Diamondoid Ammonium Salt Inclusion Complexes with Cyclodextrins

Diamondoid ammonium salts (DAS) are known guest molecules capable of realizing extremely tight binding within cucurbituril (CB[n]) hosts in aqueous environment, with binding constants reaching up to 1015 mol–1 dm3. [1] Inspired by these properties, we broadened the scope of our research concerning the binding between DAS and other hydrophobic cavities, i.e., cyclodextrins (CDs).[2] Herein we present binding capabilities of various DAS regioisomers and evaluate the effect of different nitrogen-based functionalities on complex stabilities with CDs. Stability constants were determined by ITC and 1H NMR titrations in aqueous solutions. Additionally, we used a diffusion NMR 1H DOSY method to estimate the percentage of complexation based on the calculated diffusion coefficients. The structural features of the complexes were assessed by the 1H- 1H NOESY NMR experiments, and computational studies revealed key interactions acting within the inclusion complexes

Diamondoid ammonium salts (DAS) ; Cucurbituril (CB[n]) ; 1H NMR titrations ; Cyclodextrins (DCs)

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