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

A simple
and direct two-step synthesis of bis­(amino)­cyclo­propenium
trifluoro­borate (BAC–BF3) derivatives from
readily available reagents is reported. Hydrolysis studies revealed
these BAC–BF3 derivatives were remarkably stable
toward defluorination. Notably, this first study of BAC–BF3 adduct hydrolytic stability establishes the compounds reported
herein possess half-lives (t1/2) exceeding
0.23 × 106 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.