Photoelectron spectra and molecular properties XLVII. F3C-substituted mercury compounds☆

Abstract The photoelectron spectra of the compounds F 3 CHgX with X = I, N 3 , NCO, NO 3 and of Hg(SCF 3 ) 2 are discussed on the basis of Extended Huckel MO calculations, spin-orbit splittings, and of the point-charge potential model. Although numerical agreement between calculated and experimental ionization energies has not been achieved, the major trends are well reproduced by the calculations. Conclusions drawn are: The F 3 C and X ligand orbital character does not change very much relative to non-metal derivatives; and mercury 5d electrons participate slightly in bonding.