Fig. 4: Mechanistic studies.
From: Controlled chain-growth polymerization via propargyl/allenyl palladium intermediates
a Mechanistic hypothesis of the polymerization. b Mass spectrometry detection of the putative oxidative addition adduct. c DFT studies at the SMD(1,4-dioxane)/M06-L-D3/def2-TZVP-SDD//B3LYP-D3(BJ)/6-31 G(d,p)-SDD level. The bond lengths are given in Å.
