Effects of ligands on excitation energies of [ <scp> UO 2 X 4 </scp> ] 2− and <scp> UO 2 X 2 </scp> (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory-Reference-Cited by-同舟云学术

Effects of ligands on excitation energies of [ UO ₂ X ₄ ] ²⁻ and UO ₂ X ₂ (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory

Published:2022-07-15 Issue:21 Volume:122 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J of Quantum Chemistry

Author:

Shen Guilin¹^ORCID,Guo Minggang²,Wang Zhifan³,Wang Fan¹

Affiliation:

1. Institute of Atomic and Molecular Physics, Key Laboratory of High Energy Density Physics and Technology Ministry of Education, Sichuan University Chengdu People's Republic of China

2. College of Physics and Optoelectronics Technology Baoji University of Arts and Sciences Baoji People's Republic of China

3. College of Chemistry and Life Science, Sichuan Provincial Key Laboratory for Structural Optimization and Application of Functional Molecules Chengdu Normal University Chengdu People's Republic of China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26981

Reference92 articles.

1. Synthesis and Crystal Structure of UO2Cl2(THF)3: A Simple Preparation of an Anhydrous Uranyl Reagent

2. Charge Transfer in Uranyl(VI) Halides [UO2X4]2− (X = F, Cl, Br, and I). A Quantum Chemical Study of the Absorption Spectra

3. Uranyl phosphorescence at the parts-per-trillion level

4. Quenching of uranyl luminescence by water molecule

5. Luminescence quenching of *[UO2F4]2− in aqueous solutions by anions

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