Laser-induced fluorescence experimental spectroscopy and theoretical calculations of uranium monoxide |
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| Affiliation: | 1.School of Physics and Information Engineering, Key Laboratory of Spectral Measurement and Analysis of Shanxi Province, Shanxi Normal University, Linfen 041004, China;2.School of Chemical and Material Science, Key Laboratory of Magnetic Molecules & Magnetic Information Materials of Ministry of Education, Shanxi Normal University, Linfen 041004, China;3.School of Molecular Science, Arizona State University, Tempe 85287, USA |
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| Abstract: | As a model molecule of actinide chemistry, UO molecule plays an important role in understanding the electronic structure and chemical bonding of actinide-containing species. We report a study of the laser-induced fluorescence spectra of the U16O and U18O using two-dimensional spectroscopy. Several rotationally resolved excitation spectra were investigated. Accurate molecular rotational constants and equilibrium internuclear distances were reported. Low-lying electronic states information was extracted from high resolution dispersed fluorescence spectra and analyzed by the ligand field theory model. The configuration of the ground state was determined as U2+(5f37s)O2-. The branching ratios, and the vibrational harmonic and anharmonic parameters were also obtained. Radiative lifetimes were determined by recording the time-resolved fluorescence spectroscopy. Transition dipole moments were calculated using the branching ratios and the radiative lifetimes. These findings were elucidated by using quantum-chemical calculations, and the chemical bonding was also analyzed. The findings presented in this work will enrich our understanding of actinide-containing molecules. |
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| Keywords: | laser-induced fluorescence two-dimensional spectroscopy density functional theory |
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