Bis(amino)cyclopropenium Trifluoroborates: Synthesis, Hydrolytic Stability Studies, and DFT Insights

摘要

A simple and direct two-step synthesis of bis(amino)cyclopropenium trifluoroborate (BAC–BF_(3)) derivatives from readily available reagents is reported. Hydrolysis studies revealed these BAC–BF_(3) derivatives were remarkably stable toward defluorination. Notably, this first study of BAC–BF_(3) adduct hydrolytic stability establishes the compounds reported herein possess half-lives (t _(1/2)) exceeding 0.23 × 10~(6) min (～160 days). Density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM) calculations exploring the basis of this high stability are described.