Accurate theoretical description of the M-PNR2 bonds in phosphinidene complexes of manganese and rhenium [(CO)5M-PNR2]+ (R = Me, iPr, tBu) and [(PMe3)(CO)4M-PNiPr2]+: A DFT-D3 study

We analyzed the nature of M-PNR2 bonds in the terminal cationic phosphinidene complexes of manganese and rhenium [(CO)5M-PNR2]+ (R = Me, iPr, tBu) and [(PMe3)(CO)4M-PNiPr2]+. The contribution of dispersion interactions is large in computing accurate bond dissociation energies between the interacting metal fragments [(CO)5M]+ and ligand fragments [PNR2].