Molecular orbitals of PtF6 and E110 F6 calculated by the self-consistent multiple scattering Xα method
- 1 June 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 60 (11), 4466-4470
- https://doi.org/10.1063/1.1680924
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.Keywords
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