| 17632740 |
Karhanek D, Kacer P, Kuzma M, Splichalova J, Cerveny L: The platinum-olefin binding energy in series of (PH3) 2Pt (olefin) complexes--a theoretical study. J Mol Model. 2007 Sep;13(9):1009-16. Epub 2007 Jul 14.
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 (R1R2C = CR3R4) 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. |
2(0,0,0,2) |