The He I and X-ray photoelectron spectra of the valence levels and Zn 3d levels in Me2Zn have been recorded. The orbital ionization potentials are compared with those obtained from our ab initio pseudopotential calculation on Me2Zn. There is excellent agreement between predicted and observed values for the outer valence orbitals. The Zn 3d level in Me2Zn in split into five peaks due to the combined effect of spin-orbit splitting and crystal field splitting. The major part of the splitting is due to the asymmetric C02 crystal field term which transforms like the electric field gradient. The derived C02 terms for Me2Zn and ZnCl2 are -0.0169 ± 0.0007 eV and -0.011 eV respectively. The observed and calculated splitting confirms an electrostatic (rather than a bonding) origin. The C02 value for Me2Zn is consistent with that observed recently for Me2Cd.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry