电子邮箱：lixiaoxi@sdu.edu.cn

个人经历：

副研究员（山东大学，2022.02-至今）

研究教授(Research Professor)（韩国梨花女子大学，2020.12-2021.08） 

博士后(Postdoctoral Fellow)（韩国梨花女子大学，2017.01−2020.11）

助理研究员（中科院 兰州化学物理研究所，2015.07−2016.12）  

博士（吉林大学，2010.09-2015.06）

学士（云南大学，2006.09-2010.07）

研究方向：

催化剂构效关系的理论研究及新型金属催化剂的理性设计

通过理论模拟，揭示催化反应机理，充分认识催化反应过程中关键中间体的结构-性质关系，从而为新型、高效催化剂的理性设计提供理论指导。

代表性科研成果：

1)     Yu Shen, Ao Huang, Xiyao Lu, Aiqun Jia,* Shuang Luo, Xiao-Xi Li,* Shi Tang,* Substituent-Controlled Regiodivergent Rearrangement of Gramine Ammonium Ylide J. Org. Chem. 2025, 90, 2318-2327. DOI: 10.1021/acs.joc.4c02698 (SCI二区, IF = 3.2)

2)     Zhenda Fu, Jianzheng Cheng, Xiao-Xi Li,* Xingwei Li,* Songjie Yu,* Gem-Difluorobicyclo[2.1.1]hexanes via Photochemical [2π+2σ] Cycloaddition Initiated by Oxidative Activation of Gem-Difluorodienes Org. Lett. 2024, 26, 9961-9966. DOI: 10.1021/acs.orglett.4c03798 (SCI一区(Top), IF = 4.9)

3)     Yangxing Sun, Keke Ren, Zhentao Zhang, Yanzhi Li, Nengzhong Wang, Hui Zeng, Nianyu Huang, Xiao-Xi Li,* Wei-Qiao Deng, Hui Yao,* Palladium-Catalyzed O-Glycosylation through π-π Interactions Org. Lett. 2024, 26, 5396-5401. DOI: 10.1021/acs.orglett.4c02019 (SCI一区(Top), IF = 4.9)

4)     Wei Wang, Mingwei Jiang, Junwei Li, Fen Wang, Xiao-Xi Li,* Jing Zhao, Xingwei Li,* Intermolecular Buchwald-Hartwig Reactions for Enantioselective Synthesis of Diverse Atropisomers: Rerouting the C-N Forming Mechanism to Substrate Oxygen-Assisted Reductive Elimination J. Am. Chem. Soc. 2024, 146, 16567-16580. DOI: 10.1021/jacs.4c03342 (SCI一区(Top), IF = 14.4)

5)     Panjie Hu, Bingxian Liu, Fen Wang, Ruijie Mi, Xiao-Xi Li,* Xingwei Li,* A Stereodivergent-Convergent Chiral Induction Mode in Atroposelective Access to Biaryls via Rhodium-Catalyzed C-H Bond Activation-Annulation ACS Catal. 2022, 12, 13884-13896. DOI: 10.1021/acscatal.2c04292 (SCI一区(Top), IF = 11.3)

6)   Ranjana Gupta,^# Xiao-Xi Li,^# Youngseob Lee, Mi Sook Seo, Yong-Min Lee, Sachiko Yanagisawa, Minoru Kubo, Ritimukta Sarangi,* Kyung-Bin Cho,* Shunichi Fukuzumi,* Wonwoo Nam,* Heme compound II models in chemoselectivity and disproportionation reactions Chem. Sci. 2022, 13, 5707-5717. DOI: 10.1039/D2SC01232D (SCI一区(Top), IF = 7.6)

7)   Xuanyu Cao,^# Huiling Song,^# Xiao-Xi Li,* Qing-An Qiao,* Yufen Zhao, Yong Wang,* Which is the real oxidant in competitive ligand self-hydroxylation and substrate oxidation—a biomimetic iron(II)-hydroperoxo species or an oxo-iron(IV)-hydroxy one? Dalton Trans. 2022, 51, 7571-7580. DOI: 10.1039/D2DT00797E (SCI三区, IF = 3.5)

8)   Xiao-Xi Li,^# Xiaoyan Lu,^# Kyung-Bin Cho,* Wonwoo Nam,* Nonheme Iron Imido Complexes Bearing a Non-Innocent Ligand: A Synthetic Chameleon Species in Oxidation Reactions Chem. Eur. J. 2021, 27, 17495-17503. DOI: 10.1002/chem.202103295 (SCI二区, IF = 3.9)

9)   Xiao-Xi Li,^# Shan-Shan Xue,^# Xiaoyan Lu,^# Mi Sook Seo, Yong-Min Lee, Won-Suk Kim, Kyung-Bin Cho,* Wonwoo Nam,* Ligand Architecture Perturbation Influences the Reactivity of Nonheme Iron(V)-Oxo Tetraamido Macrocyclic Ligand Complexes: A Combined Experimental and Theoretical Study Inorg. Chem. 2021, 60, 4058-4067. DOI: 10.1021/acs.inorgchem.1c00110 (SCI二区(Top), IF = 4.3)

10)  Xiaoyan Lu,^# Xiao-Xi Li,^# Yong-Min Lee, Yuri Jang, Mi Sook Seo, Seungwoo Hong,* Kyung-Bin Cho,* Shunichi Fukuzumi* and Wonwoo Nam,* Electron-Transfer and Redox Reactivity of High-Valent Iron Imido and Oxo Complexes with the Formal Oxidation States of Five and Six J. Am. Chem. Soc. 2020, 142, 3891-3904. DOI: 10.1021/jacs.9b11682 (SCI一区(Top), IF = 14.4)

11)  Xiao-Xi Li, Kyung-Bin Cho,* Wonwoo Nam,* A Theoretical Investigation into the First-Row Transition Metal-O₂ Adducts Inorg. Chem. Front. 2019, 6, 2071-2081. DOI: 10.1039/C9QI00407F (SCI一区, IF = 6.1)

12)  Xiao-Xi Li, Mian Guo, Bin Qiu, Kyung-Bin Cho,* Wei Sun,* Wonwoo Nam,* High-Spin Mn(V)-Oxo Intermediate in Nonheme Manganese-Catalyzed Alkane Hydroxylation Reaction: Experimental and Theoretical Approach Inorg. Chem. 2019, 58, 14842-14852. DOI: 10.1021/acs.inorgchem.9b02543 (SCI二区(Top), IF = 4.3)

13)  Yiran Kang,^# Xiao-Xi Li,^# Kyung-Bin Cho, Wei Sun, Chungu Xia, Wonwoo Nam,* Yong Wang,* Mutable Properties of Noheme Iron(III)-Iodosylarene Complexes Result in the Elusive Multiple-Oxidant Mechanism J. Am. Chem. Soc. 2017, 139, 7444-7447. DOI: 10.1021/jacs.7b03310 (SCI一区(Top), IF = 14.4)

14)  Chengxia Miao,^# Xiao-Xi Li,^# Yong-Min Lee, Chungu Xia, Yong Wang, Wonwoo Nam,* Wei Sun,* Manganese Complex-Catalyzed Oxidation and Oxidative Kinetic Resolution of Secondary Alcohols by Hydrogen Peroxide Chem. Sci. 2017, 8, 7476-7482. DOI: 10.1039/C7SC00891K (SCI一区(Top), IF = 7.6)

15)  Xiao-Xi Li, Verònica Postils, Wei Sun, Abayomi S. Faponle, Miquel Solà, Yong Wang,* Wonwoo Nam,* Sam P. de Visser,* Reactivity Patterns of (Protonated) Compound II and Compound I of Cytochrome P450: Which Is the Better Oxidant? Chem. Eur. J. 2017, 23, 6406-6418. DOI: 10.1002/chem.201700363 (SCI二区, IF = 3.9)

16)  Xiaoqian Zhang, Xiao-Xi Li,* Yufang Liu, Yong Wang,* Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference Front. Chem. 2017, 5. DOI: 10.3389/fchem.2017.00003 (SCI三区, IF = 3.8)

17)  Xiao-Xi Li, Yong Wang, Qing-Chuan Zheng,* Hong-Xing Zhang, Detoxification of 1-Methyl-4-Phenyl-1,2,3,6-Tetrahydropyridine (MPTP) by Cytochrome P450 Enzymes: A Theoretical Investigation J. Inorg. Biochem. 2016, 154, 21-28. DOI: 10.1016/j.jinorgbio.2015.10.009 (SCI二区, IF = 3.8)

18)  Xiao-Xi Li, Xiaoqian Zhang, Qing-Chuan Zheng, Yong Wang,* Bio-activation of 4-Alkyl Analogues of 1,4-Dihydropyridine Mediated by Cytochrome P450 Enzymes J. Biol. Inorg. Chem. 2015, 20, 665-673. DOI: 10.1007/s00775-015-1252-8 (SCI三区, IF = 2.7)

19)  Xiao-Xi Li, Qing-Chuan Zheng,* Yong Wang,* Hong-Xing Zhang, Theoretical Insights into the Reductive Metabolism of CCl₄ by Cytochrome P450 Enzymes and the CCl₄-dependent Suicidal Inactivation of P450 Dalton Trans. 2014, 43, 14833-14840. DOI: 10.1039/C4DT02065K (SCI三区, IF = 3.5)

20)  Xiao-Xi Li, Ji-Long Zhang, Qing-Chuan Zheng,* Ying-Lu Cui, Rui-Juan Niu, Hong-Xing Zhang, Chia-Chung Sun, Catalytic Mechanism of All-trans-Retinoic Acid 4-Hydroxylation Mediated by Cytochrome P450 2C8: How Does Arginine 241 Affect the C-H Bond Activation? J. Theor. Comput. Chem. 2013, 12, 1-17. DOI: 10.1142/S0219633613410095 (SCI四区, IF = 2.4)