X-ray fluorescent spectroscopy and quantum chemistry investigation of electronic structure of the palladium[60]fullerene complex with bidentate ligand 1,1′-bis(diphenylphosphino)ferrocene

The electronic structure of organometallic fullerene complex C60Pd(P(C6H5)2)2Fe(C5H4)2 has been investigated using X-ray fluorescent spectroscopy and density functional theory. It was shown that, the electronic state of carbon atoms incorporated into the complex can be related to the electronic state of carbon atoms that constituted the structural units C60, P(C6H5)3, and Fe(C5H5)2. In the studied complex, palladium atom acts as a bridge in the transferring of electronic density from the ligand phosphorus atoms to the fullerene cage.