职称：副教授

E-mail: lijj@sxau.edu.cn

个人简介

李婧婧，女，理学博士，副教授，硕士生导师

教育、工作背景

2020.01－至今，山西农业大学，基础部，副教授

2016.07－2019.12，山西农业大学，文理学院，讲师

2011.09－2016.06，山东大学，物理化学，博士

2007.09－2011.07，山西大同大学，化学，学士

研究领域

从事量子化学和理论与计算化学的应用研究，致力于凝练化学、材料等领域的关键科学问题，用理论化学方法从微观层次上探讨一系列宏观现象的微观本质，阐明化学反应的分子机制，解释、论证和预测相关的实验现象。

近期研究方向：

1.天然产物功能化

2.金属有机催化

3.生物质能源转化

主要论著

1. Jingjing Li*^#;Yuan Yang; Huimin Di; Jinzhao Wang.CascadeHydrogenation−Cyclization of Levulinic Acid into γ‑Valerolactone Catalyzed byHalf-Sandwich Iridium Complexes: A Mechanistic Insight from Density Functional.Theory.J. Org. Chem.2021, 86, 674-682.

2. Jingjing Li*^#;Binfen Wang;Hao Zhang;Yongmu Zhang;Xia Zhao.Theoretical Investigation of the Mechanism, Performance and Kinetic Experimental Phenomena on Brønsted Acidic Ionic Liquids Catalyzed Dehydration of Sorbitol to Isosorbide.ChemistrySelect2020, 5,14713-14720.

3. 李婧婧*^#，耿泽文，阳园，赵霞.离子液体结合有机碱催化糠醛自缩合的分子反应机制.青岛科技大学学报2020, 41, 14–20

4. Jingjing Li*^#;Binfen Wang;Yefan Dou;Yiying Yang.Mechanistic insight into the self-coupling of 5-hydroxymethyl furfural to C12 fuel intermediate catalyzed by ionic liquids.RSC. Adv.2019, 9,10825-10831.

5. Jingjing Li*^#;Yiying Yang;Dongju Zhang.DFT study of fructose dehydration to 5-hydroxymethylfurfural catalyzed by imidazolium-based ionic liquid.Chem. Phys. Lett.2019,723,175-181.

6. Jingjing Li, Yaru Jing, Chengbu Liu,Dongju Zhang*.A theoretical elucidation: why does a SO₃H-functionalized imidazolium-based ionic liquid catalyze the conversion of 5-hydroxymethylfurfural to levulinic acid?New J. Chem.2017,41, 8714−8720.

7. Jingjing Li;Jinghua Li;Dongju Zhang*;Chengbu Liu.DFT Study on the Mechanism of Formic Acid Decomposition by a Well-Defined BifunctionalCyclometalatedIridium(III) Catalyst: Self-Assisted Concerted Dehydrogenation via Long-Range Intermolecular Hydrogen Migration,ACS Catal.2016,6,4746-4754.

8. Jingjing Li, Jinghua Li, Dongju Zhang*, Chengbu Liu. Theoretical Elucidation on the Glucose Dehydration to 5-Hydroxymethylfurfural Catalyzed by a SO₃H-functionalized Ionic Liquid.J. Phys. Chem. B2015,119, 13398–13406.

9. 李婧婧，高军，张冬菊*，刘成卜.酸性咪唑离子液体催化纤维素降解的分子机制.中国科学：化学2015,45, 1299–1330.

10. Jingjing Li, Jinghua Li, Dongju Zhang*, Chengbu Liu. Theoretical Explanation for How SO₃H-Functionalized Ionic Liquids Promote the Conversion of Cellulose to Glucose.ChemPhysChem2015,16, 3044−3048.

11. Jingjing Li, Zhe Han, Dongju Zhang*, Jun Gao, Chengbu Liu. Mechanistic insight into the hydrodesulfurization of thiophene by a molecular tungsten complex W(PMe₃)₄(η²-CH₂PMe₂)H.Appl. Catal. A-Gen.2014,487, 54–61.

12. Jingjing Li, Dongju Zhang*, Hongjian Sun, Xiaoyan Li*. Computational rationalization of the selective C–H and C–F activations of fluoroaromatic imines and ketones by cobalt complexes.Org. Biomol. Chem.2014,12, 1897–1907.

科研项目:

山西省应用基础研究计划青年项目，Pd催化羰基化促进天然产物功能化的机理研究，主持，2021/05-2023/05

山西省高等学校科技创新项目，非贵金属络合物均相催化CO₂氢化的理论研究，主持，2019/05-2021/05