Angular-overlap treatment for some 8-coordinate complexes of the lathanide and actinide series
The angular-overlap treatment is applied to the sigma and ..pi.. f-orbital interactions in 8-coordinate lanthanide or actinide complexes of cubic-antiprismatic (D/sub 4d/) or dodecahedral (d/sub 2d/) geometry. Predictions are made of the splittings of the ground-state manifolds for various f/sup x/ configurations (x = 1-4) as a function of the e/sub ..pi..//e/sub sigma/ ratio, and for f/sup 2/ systems these are compared with the experimental data available for U(IV) species. These latter results are sufficiently encouraging to conclude that the angular-overlap model probably affords at least as good a reflection of the f-orbital bonding involvement as does the more traditional electrostatic parameterization.
- Research Organization:
- University Coll., Cardiff, Wales, United Kingdom
- OSTI ID:
- 5646992
- Journal Information:
- Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 20:12; ISSN INOCA
- Country of Publication:
- United States
- Language:
- English
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ACTINIDE COMPLEXES
COMPLEXES
DATA
ELECTRONIC STRUCTURE
ENERGY LEVELS
GROUND STATES
INFORMATION
MAGNETIC PROPERTIES
MAGNETIC SUSCEPTIBILITY
MAGNETISM
MATHEMATICAL MODELS
NUMERICAL DATA
PARAMAGNETISM
PHYSICAL PROPERTIES
RARE EARTH COMPLEXES
THEORETICAL DATA