导航
个人简介
学习经历
工作经历
研究方向
主要论文
主要著作
承担课题,个人信息
姓名： 李娟
部门： 化学与材料学院
直属机构： 化学与材料学院
性别： 女
职称： 教授
学位： 博士
毕业院校： 北京师范大学
电子邮箱： tchjli@jnu.edu.cn
办公地址： 化材楼4040B室
联系方式
个人简介
申报人2007年博士毕业于北京师范大学，师从方维海院士，同年赴香港科技大学化学系从事博士后研究工作，合作导师林振阳教授，2009年7月出站后到暨南大学工作至今，现任教授、博士生导师。申报人一直从事理论与计算化学的研究，包括用理论方法解决金属催化有机反应机理，蛋白质与小分子的作用机制以及芳香族羰基化合物光反应涉及的暗态结构和特性，在Angew. Chem. Int. Ed.、Chem. Commun.、Org. Lett.等SCI期刊发表论文60余篇，累计他引500余次。入职暨南大学后，主要用理论方法解决金属催化的化学反应，发展了一系列选择性调控策略，为催化剂的选取、底物的修饰等提供了理论指导。先后主持国家自然科学基金项目2项，广东省自然科学基金3项，广州市科技项目1项，横向项目2项。
学习经历
2002.09-2007.07 北京师范大学化学学院物理化学专业，硕博连读；1998.09-2002.07 河北大学化学学院药物化学专业，本科。
工作经历
2015.07-至今 暨南大学化学系，教授、博士生导师；2009.07-2015.06 暨南大学化学系，副教授、硕士生导师；2007.09-2009.07 香港科技大学化学系，博士后。
研究方向
(1) 金属有机催化及不对称合成(2) 蛋白质与小分子的作用机制(3) 光诱导化学过程
主要论文
1. Xiuling Wen, Xiajun Wu,Juan Li*, Mechanism of Iridium-Mediated Selective Arene Cleavage: Insights from Density Functional Theory (DFT) Calculations, Org. Lett., 2018, 20, 1505–1508，(SCI, I区, IF=6.542)2. Shengwen Yang, Yilu Xu,Juan Li*, Theoretical Study of Nickel-Catalyzed Proximal C−C Cleavage in Benzocyclobutenones with Insertion of 1,3-Diene: Origin of Selectivity and Role of Ligand, Org. Lett., 2016, 18, 6244–6247, (SCI, I区, IF=6.542)3. Zhongxin Fu, Xianming Guo, Yupan Li, Juan Li*, Computational study of catalyst-controlled regiodivergent pathways in hydroboration of 1,3-dienes: mechanism and origin of regioselectivity, Org. Chem. Front., 2020, 7, 2157-2167. (SCI, I区, IF=5.155, 封面文章)4. Wei Rong, Tian Zhang, Ting Li, Juan Li*, Theoretical study of rhodium- and cobaltcatalyzed decarboxylative transformations of isoxazolones: origin of product selectivity, Org. Chem. Front., 2021, 8, 1257-1266. (SCI, I区, IF=5.155)5. Ting Wang, Shuting Lv, Xianming Guo, Zhanpeng Li, Juan Li*, Rhodium-catalyzed ene-cycloisomerization of allylic-sulfide-tethered alkylidenecyclopropanes: DFT analysis of origins of regio- and diastereoselectivities,Org. Chem. Front., 2020, 7, 678-688. (SCI, I区, IF=5.155)6. Zeqiang Xie, Jiaojiao Deng, Zhiping Qiu,Juan Li*, Qiang Zhu*, Copper-mediated C(sp(3))−H azidation with Me3SiN3: synthesis of imidazoles from ketones and aldehydes, Chem. Commun., 2016, 52, 6467-6470, (SCI, I区, IF=6.258)7. Shi Tang, Sheng-Wen Yang, Hongwei Sun, Yali Zhou, Juan Li*,Qiang Zhu*, Pd-Catalyzed Divergent C(sp(2))−H Activation/Cycloimidoylation of 2-lsocyano-2,3-diarylpropanoates, Org. Lett., 2018, 20, 1832–1836, (SCI, I区, IF=6.542)8. Jiaojiao Deng,Xiuling, Wen, Juan Li*, Mechanistic investigation of Rh(I)-catalyzed alkyne–isatin decarbonylative coupling, Org. Chem. Front., 2017, 4, 1304-1312. (SCI, I区, IF=5.162).9. Jia-Qiang Wu, Zhi-Ping Qiu, Shang-Shi Zhang, Jing-Gong Liu, Ye-Xing Lao, Lian-Quan Gu, Zhi-Shu Huang,Juan Li*, Honggen Wang, Rhodium(III)-catalyzed C-H/C-C activation sequence: vinylcyclopropanes as versatile synthons in direct C-H allylation reactions, Chemical Communications.2015, 51, 77-80. (SCI, I区, IF=6.258)10. Jiaji Zhao, Qi Zhang, Lanying Liu, Yimiao He, Jing Li, Juan Li*, Qiang Zhu, CuI-Mediated Sequential Iodination/Cycloetherification of o-Arylphenols: Synthesis of 2- or 4‑Iododibenzofurans and Mechanistic Studies, Org. Lett.2012, 14, 5362–5365. (SCI, I区, IF=6.542)11. Ting Li, Wei Rong, Tian Zhang, Juan Li*, Mechanism and Origins of Product Selectivity of Au-Catalyzed Coupling Benzisoxazoles with Ynamides: A Computational Study,ChemCatChem, 2020, 12, 5276-5283. (SCI, II区, IF=4.853)12. Tian Zhang, Xiajun Wu, Juan Li*, Theoretical Study of Rhodium-Catalyzed C-C Activation of Cyclobutanones: Origin of Ligand-Controlled Product Selectivity,ChemCatChem, 2020, 12, 1385-1393. (SCI, II区, IF=4.853)13. Ting Wang, Xianming Guo, Tao Chen*, Juan Li*, The Pd(0) and Pd(II) cocatalyzed isomerization of alkynyl epoxides to furans: a mechanistic investigation using DFT calculations,Dalton Trans.,2020, 49, 9223-9230.(SCI, II区, IF=4.174, 封面文章)14. Tian Zhang, Ting Li, Xiajun Wu, Juan Li*, Theoretical Study of Ruthenium(0)-Catalyzed Transfer Hydrogenative Cycloaddition of Cyclohexadiene and Norbornadiene with 1,2-Diols to Form Bridged Carbocycles, J. Org. Chem.,2019, 84, 3377–3387. (SCI, II区TOP1, IF=4.800)15. Zhongchao Zhang, Shengwen Yang, Juan Li*, Xiaojian Liao*, DFT Mechanistic Study of Rh(III)-Catalyzed [3 + 2]/[5 + 2] Annulation of 4-Aryl-1,2,3-triazoles and Alkynes Unveils the Dual C−H Activation Strategy, J. Org. Chem,. 2016, 81, 9639−9646. (SCI, II区TOP1, IF=4.800)16. Lijuan Du, Yilu Xu, Shengwen Yang, Juan Li*, Xionghui Fu, Computational Insights into the Rhodium(III)-Catalyzed Coupling of Benzamides and 1,6-Enynes via a Tunable Arylative Cyclization, J. Org. Chem. 2016, 81, 1921−1929. (SCI, II区TOP1, IF=4.800))17. Juan Li*, Lijuan Du, Honghong Gu, Computational studies on Pd-catalyzed functionalization of Csp2–H bonds using a 1,2,3-triazole directing group: cyclization versus substitution, J. Org. Chem. 2015, 80, 10965−10972. (SCI, II区TOP1, IF=4.800)18. Juan Li*, Zhiping Qiu, DFT studies on the mechanism of the rhodium(III)-catalyzed C-H activation of N-phenoxyacetamide, J. Org. Chem. 2015, 80, 10686−10693. (SCI, II区TOP1, IF=4.800)19. Juan Li*, Qi Zhang, Li-Xin Zhou, Theoretical Studies on N-O or N-N Bond Formation from Aryl Azide Catalyzed by Iron(II) Bromde Complex, J. Org. Chem. 2012, 77, 2566-2570.(SCI, II区TOP1, IF=4.800)20. Xiajun Wu, Xiuling Wen, Juan Li*, The mechanism and origin of the regioselectivity of cobalt-catalyzed annulation of allenes with benzamide: a computational study,Dalton Trans.,2018, 47, 13592-13601.(SCI, II区, IF=4.060, 封面文章)21. Honghong Gu, Zhiping Qiu, Zhongchao Zhang, Juan Li*, Bo Yan*, A mechanistic study of Pd(OAc)2-catalyzed intramolecular C–H functionalization reaction involving CO/isonitrile insertion, Dalton Trans.,2015, 44, 9839-9846.(SCI, II区, IF=4.060)22. Zhiping Qiu, Jiaojiao Deng, Zhongchao Zhang, Caihong Wu, Juan Li*, Xiaojian Liao*, Mechanism of the rhodium(III)-catalyzed alkenylation reaction of N-phenoxyacetamide with styrene or N-tosylhydrazone: a computational study, Dalton Trans.,2016, 45, 8118-8126.(SCI, II区, IF=4.060)23. Juan Li*, Honghong Gu, Caihong Wu, Lijuan Du, The mechanism of transition-metal (Cu or Pd)-catalyzed synthesis of benzimidazoles from amidines: theoretical investigation. Dalton Trans.2014, 43, 16769-16779.(SCI, II区, IF=4.060)24. Caihong Wu, Juan Li*, Bo Yan*, A density functional theory study of the mechanism of isomerization of 2-aryl-2H-azirines to 2,3-disubstituted indoles by FeCl2 and Rh2(O2CCF3)4. Dalton Trans.2014, 43, 5364-5374.(A1, IF=4.097)25. Juan Li*, Caihong Wu, Qi Zhang, Bo Yan*, Theoretical studies of iron(III)-catalyzed intramolecular C–H amination of azides. Dalton Trans.2013, 42, 14369–14373.(SCI, II区, IF=4.060)26. Juan Li*, Qi Zhang, Caihong Wu, Honghong Gu, Bo Yan, A DFT study of the mechanism of copper-catalyzed synthesis of 2H-indazoles from aryl azide. Dalton Trans.2014, 43, 55-62.(SCI, II区, IF=4.060)27. Qi Zhang, Caihong Wu, Lixin Zhou, Juan Li*, Theoretical Studies on Intramolecular C−H Amination of Biaryl Azides Catalyzed by Four Different Late Transition Metals. Organometallics2013, 32, 415−426. (SCI, II区, IF=4.004)28. Juan Li, Zhen-Yang Lin, Density Functional Theory Studies on the Reduction of CO2 to CO by a (NHC)Ni0 Complex, Organometallics, 2009, 28(14),4231-4234. (SCI, II区, IF=4.004)
承担课题
1.国家自然科学基金面上项目：导向基团辅助的金属催化的C—H 键官能团化的理论分析(21573095)，2016.01-2019.12，76万元，项目负责人。2.国家自然科学基金青年基金：过渡金属催化C-N 键、N-N 键和N-O 键形成反应机理的理论分析（21103072），2012.01-2014.12，25万元，项目负责人。3.广东省自然科学基金面上项目：过渡金属催化环化物中C-C键活化的理论解析(S2012010008758)，2021.1--2023.12，10万元，项目负责人。4.广东省自然科学基金面上项目：过渡金属催化含氮杂环化合物合成机理的理论分析(S2012010008758)，2012.10--2014.10，5万元，项目负责人。5.广东省自然科学基金博士启动项目：过渡金属催化叠氮化合物胺化反应机理的从头算研究（10451063201005256），2010.10--2012.10，3万元，项目负责人。6.广州市科技计划项目:导向基团与多种因素关联机制的理论研究(201707010269)，2017.05-2020.04，20万元，项目负责人7.暨南大学科研培育与创新基金跃升计划项目：导向基团辅助的金属催化的C—H 键官能团化的理论分析(21615405)，2015.1--2016.12，12万元，项目主持人。8.暨南大学科研培育与创新基金面上项目：过渡金属催化叠氮为氮源的含氮杂环合成的从头算研究（21612404），2012.1--2013.12，10万元，项目主持人。9.暨南大学科研启动项目：基于量子化学方法的叠氮化合物胺化反应的机理研究，2010.10—2012.10，4万元，项目主持人。10.企业委托项目：“高砷高锡铅重金属污泥资源化综合回收关键技术研究与产业化应用”子项目——含砷浸出液浓缩结晶条件优化及设备选型(33116001)，2016.03−2018.03，8万元，项目负责人。11.企业委托项目：苯酚废水生物降解研究，2011.07-2012.07，10万元，项目负责人。
讲授课程
讲授本科生课程：物理化学（双语）、物理化学、计算机模拟在化学中的应用、化学与化工专业英语、物理化学实验、物理化学实验(全英)、化学化工新进展及应用选论、计算化学讲授研究生课程：高等物理化学，计算化学，高等无机化学
社会职务
长期担任Acs Catal.、Chem. Commun.、Org. Lett.等杂志的审稿人，是广东省药学会药物手性专业委员会委员。 |
