Molecular orbitals of PtF6 and E110 F6 calculated by the self-consistent multiple scattering Xα method
Abstract
The ground state one-electron energy states of PtF6 and E110F6 were calculated by the self-consistent multiple scattering Xα method. The results for the platinum compound agree well with the experimentally observed ligand field transition in optical spectra. Relativistic effects on the hexafluoride of E110 are discussed, and a more complex spectra may be found.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- June 1974
- DOI:
- 10.1063/1.1680924
- Bibcode:
- 1974JChPh..60.4466W