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Electronic Spectroscopy of UO
Journal of Molecular Spectroscopy
|September 1, 1997
Summary
This study analyzes gas-phase uranium oxide spectra to determine molecular constants for various isotopomers. The research provides a partial atlas of visible and near-infrared bands, aiding in understanding uranium oxide properties.
Area of Science:
- Molecular Spectroscopy
- Quantum Chemistry
- Atomic and Molecular Physics
Background:
- Uranium oxide (UO) is a critical compound in nuclear fuel cycles.
- Detailed spectroscopic data for gas-phase UO is essential for accurate thermodynamic and kinetic modeling.
- Previous studies have provided limited spectroscopic information for UO isotopomers.
Purpose of the Study:
- To obtain precise molecular constants for gas-phase uranium oxide isotopomers.
- To create a partial atlas of the visible and near-infrared absorption bands of UO.
- To facilitate the identification and characterization of UO in various chemical environments.
Main Methods:
- High-resolution laser spectroscopy was employed to record UO spectra.
- Rotational analysis was performed on nineteen observed bands.
- Ab initio calculations were used to support spectral assignments and interpretation.
Main Results:
- Accurate term values and rotational constants were determined for 238U16O, 238U18O, and 235U18O isotopomers.
- Nineteen vibrational bands were rotationally analyzed, providing detailed molecular information.
- Omega assignments were unambiguously determined for most analyzed transitions.
Conclusions:
- The study successfully characterized the electronic and vibrational structure of gas-phase uranium oxide.
- The generated atlas and molecular constants serve as a valuable resource for nuclear science and spectroscopy.
- This work enhances the understanding of uranium oxide behavior in high-temperature applications.
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