NUCL 54 |
| High-level theoretical models of the electronic structures and properties of actinide compounds are being developed. This is a challenging problem due to the need for explicit treatment of relativistic effects, and the circumstance that many of these molecules exist in states where the f and/or d orbitals are partially filled. Theoretical models must be evaluated through comparisons with experimental results. Gas phase data are most suitable for this purpose, but there have been few gas phase studies of actinide compounds. We are addressing this problem by carrying out spectroscopic studies of simple uranium and thorium compounds (oxides and halides). Multiple resonance and jet cooling techniques are being used to unravel the complex electronic spectra of these compounds. The patterns of electronic states for these molecules provide information concerning the occupation of the f and d orbitals, and their participation in bond formation. Recent results for the oxides will be discussed. |
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Computational Actinide and Transactinide Chemistry: Progress and Perspectives
8:20 AM-12:00 PM, Monday, August 20, 2007 Boston Park Plaza -- Franklin Rm, Oral
Division of Nuclear Chemistry & Technology |