The platinum-olefin binding energy in series of (PH3)2Pt(olefin) complexes -: a theoretical study

Theoretical investigation of Pt(0)-olefin organometallic complexes containing tertiary phosphine ligands was focused on the strength of platinum-olefin electronic interaction. DFT theoretical study of electronic effects in a substantial number of ethylene derivatives was evaluated in terms of the Pt-olefin binding energy using MP2 correlation theory. Organometallics bearing coordinated olefins with general formula ((RRC)-R-1-C-2=(CRR4)-R-3)Pt(PH3)(2) [R=various substituents] had been selected, including olefins containing both electron-donor substituents as well as electron-withdrawing groups. The stability of the corresponding complexes increases with a strengthening electron- withdrawal ability of the olefin substituents.