Abstract
The pressure behavior of crystalline Cs 2 UO 2 Cl 4 has been explored using a diamond anvil cell. The uranyl fluorescence intensity decreases dramatically with increasing pressure. Using the O-U-O symmetric stretching frequency, an apparent linear decrease in bond length with increasing pressure was observed. A linear decrease in fluorescence intensity with increasing pressure was attributed to a large growth in the nonradiative relaxation, likely attributed to increased relaxation through phonon modes. Quantum theory of atoms in molecules calculations and ab initio wave function methods (CASSCF) support the UO bond in UO 2 2+ being highly sensitive to the bond distance, but negligibly affected by the U-Cl bond length.
Original language | English |
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Pages (from-to) | 228-233 |
Number of pages | 6 |
Journal | Inorganic Chemistry |
Volume | 58 |
Issue number | 1 |
DOIs | |
State | Published - Jan 7 2019 |
Externally published | Yes |
Funding
Research was sponsored by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Heavy Elements Chemistry Program, under Award Number DE-FG02-13ER16414.4849