中国科学院高能物理研究所核能放射化学实验室---

: 吴群燕
: 电子邮箱：wuqy@ihep.ac.cn

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吴群燕，副研究员。中国核学会锕系物理与化学分会第一届理事会理事，中国核学会辐射研究与应用分会第十届理事，中国化学会核化学与放射化学分会环境放射化学专业委员会委员。

教育及工作经历:

2016.12－至今中国科学院高能物理研究所，副研究员
2013.06－2016.12 中国科学院高能物理研究所，助理研究员
2010.06－2013.06 清华大学化学系，博士后（合作导师：帅志刚）
2006.09－2010.03 北京理工大学理学院，理学博士
2008.09－2009.09 美国佐治亚大学，国家公派研究生
1999.09－2006.07 曲阜师范大学化学系，理学学士、硕士

研究方向：

1. 高效镧锕离子分离配体的理论设计
2. 镎、钚与无盐还原剂的反应机理研究
3. 锕系多重键和氧化态的研究

主持科研项目:

1. 国家自然科学基金面上项目，无盐还原剂的设计及其与镎(VI)还原反应机理研究，2024.01-2027.12，62万元

2. 国家自然科学基金面上项目，基于软硬原子结合与预组织策略的锕系配体设计与应用，2021.01-2024.12，62万元

3. 国家自然科学基金面上项目，亲水性镧锕分离配体的设计制备及其在高放废液处理中的应用研究，2019.01-2022.12，66万元

4. 国家自然科学基金重点项目，PUREX流程中镎、锝与还原剂的反应过程与机理研究，2019.01-2022.12，268万元（子课题负责人）

5. 国家自然科学基金面上项目，新型邻菲罗啉酰胺类配体的设计及其对放射性废液中锕系元素的提取研究，2015.01-2018.12，90万元

代表性研究成果:

1.高效镧锕离子分离配体的理论设计

(1)Wei Jin#, Qun-Yan Wu#, Yan Lou, Zhi-Wei Huang, Feng Liu, Bo-Wen Hu, Ji-Pan Yu, Kong-Qiu Hu, Li-Yong Yuan, Wei-Qun Shi*, Lei Mei*. Acyl-anchored metal-organic cages with interior cryptand-like recognition sites for selective removal of radioactive strontium(II).

Sci. bull. 2025, 70, 683-693.

(2)Run-Jian Cao#, Heng-Yi Zhou#, Qun-Yan Wu#, Zhe Xiao, Tao-Yuan Xiu, Jie Li, Hong-Bin Tang, Li-Yong Yuan*, Wang-Suo Wu, Wei-Qun Shi*. Rigidity-Flexibility Regulation and Hard-Soft Donor Combination: Dual Strategies in Covalent Organic Frameworks Construction for Actinides/lanthanides Separation.

Adv. Mater. 2025, 37, 2414659.

(3)Ling-Ling Su, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Wei-Qun Shi*. Heterocyclic Ligands with Different N/O Donor Modes for Am(III)/Eu(III) Separation: A Theoretical Perspective.

Inorg. Chem. 2024, 63, 9478-9486.

(4)Ling-Ling Su, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Wei-Qun Shi*. Theoretical design of polyazole based ligands for the separation of Am(III)/Eu(III).

Chin. Chem. Lett. 2024, 35, 109402.

(5) Xia-Ping Lei, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Zhi-Fang Chai, Chang-Ming Nie*, Wei-Qun Shi*. Theoretical Insights into the Substitution Effect of Phenanthroline Derivatives on Am(III)/Eu(III) Separation.

Inorg. Chem. 2023, 62, 2705-2714.

(6) Zi-Rong Ye, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Zhi-Fang Chai, Hong-Qing Wang*, Wei-Qun Shi*. Theoretical Insights into the Selective Separation of Am(III)/Eu(III) Using Hydrophilic Triazolyl-Based Ligands.

Inorg. Chem. 2022, 61, 6110-6119.

(7) Zi-Rong Ye, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Zhi-Fang Chai, Hong-Qing Wang, Wei-Qun Shi*.Theoretical Insights into the Separation of Am(III)/Eu(III) by Hydrophilic Sulfonated Ligands.

Inorg. Chem. 2021, 60, 16409-16419.

(8) Cui Wang#, Qun-Yan Wu#, Xiang-He Kong, Cong-Zhi Wang, Jian-Hui Lan, Chang-Ming Nie, Zhi-Fang Chai, Wei-Qun Shi Theoretical Insights into the Selective Extraction of Americium(III) over Europium(III) with Dithioamide-Based Ligands.

Inorg. Chem. 2019, 58, 10047-10056.

(9) Xiang-He Kong#, Qun-Yan Wu#, Jian-Hui Lan, Cong-Zhi Wang, Zhi-Fang Chai, Chang-Ming Nie, Wei-Qun Shi Theoretical Insights into Preorganized Pyridylpyrazole-Based Ligands toward the Separation of Am(III)/Eu(III).

Inorg. Chem. 2018, 57, 14810-14820.

(10) Qun-Yan Wu, Yu-Ting Song, Lin Ji, Cong-Zhi Wang, Zhi-Fang Chai, and Wei-Qun Shi*. Theoretical unraveling the separation of Am(Ⅲ)/Eu(Ⅲ): Insights from mixed N, O-donor.

Phys. Chem. Chem. Phys. 2017, 19, 26969-269798.

2.镎、钚与无盐还原剂的反应机理研究

(1)Xin Huang,# Xiao-Bo Li,# Qun-Yan Wu*, Wei-Qun Shi*. Experimental and Theoretical Progress on the Reduction of Np(VI) with Salt-free Reagents in the PUREX process.

Ind. Chem. Mater. 2025, DOI: 10.1039/d5im00009b.

(2)Xin Huang, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Hong-Qin Wang*, Wei-Qun Shi*. Theoretical study on the kinetic behavior of Np(VI) reduction by hydroxylamine and its derivatives: substituent effect.

Phys. Chem. Chem. Phys. 2025, 27, 6014-6023.

(3)Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Meng Zhang*, Wei-Qun Shi*. Theoretical perspectives on the reduction of Pu(IV) and Np(VI) by methylhydrazine in HNO3 solution: Implications for Np/Pu separation.

Chin. Chem. Lett. 2024, 35, 109359.

(4)Xin Huang, Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Hong-Qin Wang, Wei-Qun Shi*. Uncovering the reduction mechanism of Np(VI) with N,N-diethyl hydroxylamine: a scalar-relativistic DFT investigation.

Phys. Chem. Chem. Phys. 2024, 26, 27395-27405.

(5)Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Meng Zhang*, Zhi-Fang Chai, Wei-Qun Shi*. Unveiling the Reduction Mechanism of Pu(IV) by Acetaldoxime.

J. Phys. Chem. A 2023, 127, 7479-7486.

(6) Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Meng Zhang*, Zhi-Fang Chai, Wei-Qun Shi*. Insights into the Reduction Mechanisms of Np(VI) to Np(V) by Carbohydrazide.

J. Phys. Chem. A 2023, 127, 4259−4268.

(7) Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Meng Zhang, John. K. Gibson, Zhi-Fang Chai, Wei-Qun Shi*. Reduction of Np(VI) with hydrazinopropionitrile via water-mediated proton transfer.

Phys. Chem. Chem. Phys. 2022, 24, 17782-17791.

(8) Zhong-Ping Cheng, Xiao-Bo Li, Qun-Yan Wu*, Zhi-Fang Chai, and Wei-Qun Shi*. Theoretical insights into the reduction mechanism of neptunyl nitrate by hydrazine derivatives.

Radiochim. Acta 2022, 110, 471–480.

(9) Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Meng Zhang,* Zhi-Fang Chai, Wei-Qun Shi*. Theoretical Insights into the Reduction Mechanism of Np(VI) with Phenylhydrazine.

J. Phys. Chem. A 2021, 125, 6180-6188.

(10) Xiao-Bo Li, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Shun-Yan Ning, Yue-Zhou Wei*, Zhi-Fang Chai, Wei-Qun Shi*.Theoretical Study on the Reduction Mechanism of Np(VI) by Hydrazine Derivatives.

J. Phys. Chem. A 2020, 124, 3720−3729.

3.锕系多重键和氧化态的研究

(1) Rui-Ying Liu, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Cheng-Peng Li*, Wei-Qun Shi*. Theoretical Insights Into Structures and U–C Bonding in the Uranium Benzyl Derivatives.

J. Comput. Chem. 2025, 46, e70051.

(2) Yan Guo#, Xue-Lian Jiang#, Qun-Yan Wu#, Kang Liu, Wen-Yuan Wang*, Kong-Qiu Hu, Lei Mei, Zhi-Fang Chai, John K. Gibson, Ji-Pan Yu*, Jun Li*, Wei-Qun Shi*. 4f/5d Hybridization Induced Single-Electron Delocalization in an Azide-Bridged Dicerium Complex.

J. Am. Chem. Soc. 2024, 146, 7088-7096

(3) Xiao-Wang Chi, Qun-Yan Wu*, Cong-Zhi Wang, Ji-Pan Yu, Kang Liu, Ru-An Chi, Zhi-Fang Chai, Wei-Qun Shi*. A Theoretical Study of Unsupported Uranium–Ruthenium Bonds Based on Tripodal Ligands.
Organometallics 2022, 41, 1304−1313.

(4) Ai-Lin Li#, Nai-Xin Zhang#, Qun-Yan Wu*, Cong-Zhi Wang, Jian-Hui Lan, Chang-Ming Nie, Zhi-Fang Chai, Wei-Qun Shi*. Theoretical Insights into the Actinide-Silicon Bonding Nature and Stability of a Series of Actinide Complexes with Different Oxidation States.

Organometallics 2021, 40, 1719-1727.

(5) Xiao-Wang Chi#, Qun-Yan Wu#, Jian-Hui Lan, Cong-Zhi Wang, Qin Zhang, Zhi-Fang Chai, Wei-Qun Shi*. A Theoretical Study on Divalent Heavier Group 14 Complexes as Promising Donor Ligands for Building Uranium–Metal Bonds.

Organometallics 2019, 38, 1963-1972.

(6) Xiao-Wang Chi#, Qun-Yan Wu#, Qiang Hao, Jian-Hui Lan, Cong-Zhi Wang, Qin Zhang, Zhi-Fang Chai, Wei-Qun Shi*. Theoretical Study on Unsupported Uranium–Metal Bonding in Uranium–Group 8 Complexes.

Organometallics 2018, 37, 3678-3686.

(7) Qun-Yan Wu, Cong-Zhi Wang, Jian-Hui Lan, Zhi-Fang Chai, and Wei-Qun Shi*. Electronic Structures and Bonding of the Actinide Halides An(TRENTIPS)X (An=Th-Pu, X=F-I): A Theoretical Perspective.

Dalton Trans. 2020, 49, 15895-15902.

(8) Qun-Yan Wu, Zhong-Ping Cheng, Jian-Hui Lan, Cong-Zhi Wang, Zhi-Fang Chai, John K. Gibson, Wei-Qun Shi*. Insight into the nature of M–C bonding in the lanthanide/actinide-biscarbene complexes: a theoretical perspective.

Dalton Trans. 2018, 47, 12718-12725.

(9) Qun-Yan Wu, Jian-Hui Lan, Cong-Zhi Wang, Zhong-Ping Cheng, Zhi-Fang Chai, John. K. Gibson, Wei-Qun Shi*. Paving the Way for the Synthesis of a Series of Divalent Actinide Complexes: a Theoretical Perspective.

Dalton Trans. 2016, 45, 3102-3110.

(10) Qun-Yan Wu, Cong-Zhi Wang, Jian-Hui Lan, Cheng-Liang Xiao, Xiang-Ke Wang, Yu-Liang Zhao, Zhi-Fang Chai*, Wei-Qun Shi*. Theoretical Investigation on Multiple Bonds in Terminal Actinide Nitride Complexes.

Inorg. Chem. 2014, 53, 9607-9614.

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