Fig. 5: Identification of the reaction pathway of phosphine abstraction.

A Experimental ³¹P{¹H} NMR (242.90 MHz, THF-d₈) spectrum of the crude reaction solution (low-temperature reaction) of 3c with KBnz at 180 K. B Gibbs free energy profile of the reaction of 3c with KBnz, calculated at the B3LYP-D3(BJ)/def2-TZVPP (PCM = THF) level of theory.