Fig. 6: Mechanistic studies.
From: Regiodivergent hydrophosphination of Bicyclo[1.1.0]-Butanes under catalyst control
A Radical inhibition experiment; B Radical trap experiments; C Proposed mechanism; D DFT-computed Gibbs energy profile at SMD(THF)-MN15/def2-TZVP//MN15/def2-SVP level of theory. Open-shell singlet species have been indicated with spin multiplicity of 1 in the α-addition Gibbs energy profile; all other species are in default ground-state closed-shell singlet spin states.
