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Laser-induced fluorescence experimental spectroscopy and theoretical calculations of uranium monoxide |
| Xi-Lin Bai(白西林)1,†, Xue-Dong Zhang(张雪东)1, Fu-Qiang Zhang(张富强)2, and Timothy C Steimle3 |
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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Received: 19 September 2021
Revised: 07 December 2021
Accepted manuscript online:
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PACS:
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33.20.-t
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(Molecular spectra)
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31.15.ae
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(Electronic structure and bonding characteristics)
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42.62.Fi
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(Laser spectroscopy)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No.21903050). |
Corresponding Authors:
Xi-Lin Bai,E-mail:bxl5630@mail.ustc.edu.cn
E-mail: bxl5630@mail.ustc.edu.cn
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| About author: 2021-12-16 |
Cite this article:
Xi-Lin Bai(白西林), Xue-Dong Zhang(张雪东), Fu-Qiang Zhang(张富强), and Timothy C Steimle Laser-induced fluorescence experimental spectroscopy and theoretical calculations of uranium monoxide 2022 Chin. Phys. B 31 053301
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