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Chin. Phys. B, 2022, Vol. 31(5): 053301    DOI: 10.1088/1674-1056/ac43a4

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
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.
Keywords:  laser-induced fluorescence      two-dimensional spectroscopy      density functional theory  
Received:  19 September 2021      Revised:  07 December 2021      Accepted manuscript online: 
PACS:  33.20.-t (Molecular spectra) (Electronic structure and bonding characteristics)  
  42.62.Fi (Laser spectroscopy)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No.21903050).
Corresponding Authors:  Xi-Lin Bai,     E-mail:
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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