Thermodynamically Controlled, Dynamic Binding of Polyols to a 1,2-BN Cyclohexane Derivative

Presenter: Gregory Harlow (Chemistry)

Mentor: Shih-Yuan Liu

Oral Presentation

Panel C: “Explorations in Chemistry and Water” Oak Room

Concurrent Session 3: 1:45-3:00pm

Facilitator: Sheri Donahoe

The high affinity, selective binding of polyols to a benzylated 1,2-BN cyclohexane derivative is introduced. Solid- state structures of the covalent interactions with 1,2-, 1,3-, and 1,4-glycols have been characterized by single crystal X-ray diffraction. 11B NMR is shown to be a convenient method for distinguishing 5-, 6-, and 7-membered chelate ring size. Site-specific binding to oligoalcohols proceeds under thermodynamic control, and association constants for these contacts have been quantified by NMR peak integration. Additional mechanistic insights and evidence for dynamic exchange has been gained through combined deuterium labeling experiments and variable temperature NMR studies with a model 1,2-diol. These binding events suggest broad implications for both the field of polyol sensing and the expanding science of boron-nitrogen analogues, including 1,2-azaborines.