刘玉霞

学位/职称：博士、副教授、硕士生导师
专 业：物理化学
研究方向：生物分子模拟，金属催化剂的理论设计，金属有机催化反应机理研究
开设课程：结构化学、配位化学、物理化学实验
E-mail：liuyuxia2008@163.com
教育背景：
2009.09 ─ 2012.07， 山 东 大 学，化学与化工学院理论化学研究所，理学博士
2006.09 ─ 2009.07，曲阜师范大学，化学与化工学院，理学硕士
1996.09 ─ 2000.07，曲阜师范大学，化学与化工学院，理学学士
个人简介：
长期从事金属有机化学及过渡金属催化方面的理论研究工作，能够运用理论化学方法解决有机催化化学领域的关键性科学问题。已在ACS-Catalysis, Chem. Eur. J., Organometallics, Dalton Trans., Org. Biomol. Chem., J. Phys. Chem.等国际刊物上发表多篇SCI论文。承担或参于完成多项国家自然基金、省自然基金及校级项目课题的研究。目前主持国家自然科学基金1项，山东省高等学校科技计划项目1项，中国博士后基金面上项目一等资助1项、曲阜师范大学教学改革项目1项。
主持或参与的科研项目：
1.国家自然科学基金项目：CO2与炔烃的催化羧基化反应制备高附加值化学品的理论研究(**)，主持，2015.01-2017.1
2.中国博士后基金面上项目一等资助。主持.
3.山东省高等学校科技计划项目：新资源CO2活化生成高附加值产品的催化剂设计(J14LC17)，主持，2014.07-2017.06。
4.山东大学研究生自主创新项目：金均相催化的若干有机合成反应机理的理论研究(yzc10044)，主持，2010.10-2012.06
5.国家自然科学基金面上项目：金催化剂中的“银效应”理论研究(**)，第二，2015.01-2018.12。
6.国家自然科学基金面上项目：Pt 基和Pd 基催化剂催化甲酸电化学氧化机制的理论研究(**)，第三，2013.01-2016.12。
发表的学术论文：
[16] Yuxia Liu, Yanan Tang, Yuan-Ye Jiang, Xiaomin Zhang, Ping Li, and Siwei Bi,* Mechanism and Origin of Et2Al(OEt)-Induced Chemo-Selectivity of Nickel-Catalyzed Three-Component Coupling of One Diketene and Two Alkynes, ACS Catal. (IF= 10.614; JCR: 一区), 2017, 7,1886-1896.
[15] Guojing Pei, Yuxia Liu* Guang Chen, Xiangai Yuan, Yuan-Ye Jiang, and Siwei Bi,* Unveiling the mechanisms and secrets of chemoselectivities in Au(I)-catalyzed diazo-based couplings with aryl unsaturated aliphatic alcohols, Catal. Sci. Technol. (IF=5.365；JCR:一区), 2018, DOI: 10.1039/C8CY01352G.
[14] Lingjun Liu, Guojing Pei, Peng Liu, Baoping Ling, Yuxia Liu*, Siwei Bi,* Mechanistic Unveiling of C=C Double-Bond Rotation and Origins of Regioselectivity and Product E/Z Selectivity of Pd-Catalyzed Olefinic C-H Functionalization of (E)-N-Methoxy Cinnamamide, J. Org. Chem. (IF=4.849; JCR: 一区), 2018, 83, 2067-2076.
[13] Lingjun Liu, Yuxia Liu*, Baoping Ling, Siwei Bi,* Mechanistic investigation into Et3N C-H activation and chemoselectivity by Pd-Catalyzed intramolecular heck reaction of N-Vinylacetamides, J. Organomet. Chem.(IF: 2.336; JCR:二区), 2017, 827, 56-66.
[12] Congcong Liu, Yuxia Liu*, Yanan Tang, Haosheng Liang and Siwei Bi,* Mechanisms and Origins of Switchable Regioselectivity of FeBr3-Catalyzed [1,2]-Aryl and [1,2]-Alkyl Shift of α-Aryl Aldehydes, Org. Biomol. Chem. (IF: 3.559; JCR: 一区) 2016, 14, 2522-2536.
[11] Daoshan Yang, Yuxia Liu(共同一作), Pengfei Sun, Ning Zhang, Wei Wei, Mingyang, Sun, Guang Chen, Siwei Bi, and Hua Wang*, An Efficient Route to Regioselective Functionalization of Benzo[b]thiophenes via Palladium-Catalyzed Decarboxylative Heck Coupling Reactions: Insights from Experiment and Computation, Org. Biomol. Chem. (IF: 3.559; JCR: 一区) 2016, 14, 895-904.
[10] Weirong Wu, Yuxia Liu* and Siwei Bi*, Mechanistic insight into conjugated N–N bond cleavage by Rh(III)-catalyzed redox-neutral C–H activation of pyrazolones, Org. Biomol. Chem. (IF: 3.559; JCR: 一区), 2015, 13, 8251-8260.
[9] Yuxia Liu, Xu Yang, Lingjun Liu, Hongliang Wang and Siwei Bi*, Mechanistic insight into water-modulated cycloisomerization of enynyl esters using an Au(I) catalyst, Dalton Trans. (IF: 4.177; JCR: 一区) 2015, 44, 5354-5363.
[8] Hongliang Wang, Xu Yang, Yuxia Liu*, Siwei Bi*, Theoretical Studies on a New Class of C?C Bond Formation: Pd-Catalyzed Reactions of α-Diazocarbonyl Compounds with Allylic Esters, Organometallics (IF: 4.253; JCR: 一区) 2014, 33, 1404-1415.
[7] Yuxia Liu, Guang Chen, Hongliang Wang, Siwei Bi*, and Dongju Zhang*. Theoretical Investigation of the Controlled Metathesis Reactions of Methylruthenium(II) Complexes with Terminal Acetylenes, Eur. J. Inorg. Chem. (IF: 2.942; JCR: 二区) 2014, 2502-2511.
[6] Yuxia Liu, Dongju Zhang*, Siwei Bi and Chengbu Liu.Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate:[3 + 2]- versus [2 + 2]-cycloaddition products, Org. Biomol. Chem. (IF: 3.5590; JCR: 二区), 2013, 11, 336-343.
[5] Yuxia Liu, Dongju Zhang*, Jun Gao, and Chengbu Liu. Theoretical Elucidation on the Mechanism of Cleavage of the Aromatic C?C Bond in Quinoxaline by a W-based complex W(PMe3)4(?2-CH2PMe2)H, Chem. Eur. J. (IF: 5.771; JCR:一区) 2012, 18, 15537-15545.
[4] Yuxia Liu, Dongju Zhang*, and Siwei Bi. Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes, Organometallics (IF: 4.253; JCR: 一区), 2012, 31, 4769-4778.
[3] Yuxia Liu, Dongju Zhang*, Siwei Bi, and Chengbu Liu. Theoretical Insight into the Mechanism of CO Inserting into the N?H Bond of the Iron(II) Amido Complex (dmpe)2Fe(H)(NH2): An Unusual Self-Promoted Reaction, Organometallics (IF: 4.253; JCR: 一区), 2012, 31, 365-371.
[2] Yuxia Liu, Dongju Zhang*, and Siwei Bi. Theoretical Investigation on the Isomerization Reaction of 4-Phenyl-hexa-1,5-enyne Catalyzed by Homogeneous Au Catalysts, J. Phys. Chem. A (IF：2.8469；JCR：二区) 2010, 114, 12893-12899.
[1] Yuxia Liu, Dongju Zhang*, Jianhua Zhou, and Chengbu Liu. Theoretical Elucidation of Au(I)-Catalyzed Cycloisomerizations of Cycloalkyl-substituted 1,5-Enynes: 1,2-alkyl Shift versus C-H Bond Insertion Products, J. Phys. Chem. A, (IF：2.8469；JCR：二区) 2010, 114, 6164-6170.