Structure determination and DFT studies of some new phosphite-based cycloplatinated(II) complexes containing biphosphine ligands

摘要: Abstract The starting complex [PtCl{(κ2-P,C)P(OC6H4) (OPh)2}SMe2], 3, was prepared by a new method using the reaction of [PtCl2(P(OPh)3)2] with 1 equiv PtCl2 in xylene under reflux condition followed treatment an excess amount SMe2. Reaction 0.5 dppf (1,1′-bis(diphenylphosphino)ferrocene), dppm (bis(diphenylphosphinomethane)) ligands and dppe ligand, PˆP, gave dinuclear complexes [Pt2Cl2{(κ2-P,C)P(OC6H4) (OPh)2}2(μ-dppf)], 4a, (OPh)2}2(μ-dppm)], 4b, mononuclear bis-chelated [Pt{(κ2-P,C)P(OC6H4) (OPh)2}2(dppe)]Cl, 5, respectively. were fully characterized multinuclear (1H 31P) NMR spectroscopy elemental analysis. structure typical 4a further determined X-ray crystallography. optimized structures their dichloromethane solutions obtained from DFT calculations. These used to determine frontier molecular orbitals also nature electronic transitions.