研究领域
主要用量子化学软件Gaussian03进行从头算研究，揭示有机化学反应的具体反应途径及选择性的成因，确定中间体、过渡态的结构。研究的主要体系有：金属催化的反应，如Pd, Ir, Au, Cu, Ag, Zr, Ni等催化的反应；有机小分子催化的反应, 如手性磷酸等催化的反应。此外，我们还进行一些性质方面的计算，如核磁(NMR)、红外光谱(IR)以及能带结构、导电性质等。和实验小组一样，我们也是在做实验，不过是在计算机的内存里做反应。
近期论文
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Min Jiang, Le-Ping Liu, Min Shi,* and Yuxue Li* Gold(I)-Catalyzed Tandem C-H andC-C Activation (Cleavage)Org. Lett., 2010, 12, 116-119.
Lei Wu, Min Shi,* and Yuxue Li* BF3•OEt2-Catalyzed Intermolecular Reactions of Vinylidenecyclopropaneswith Bis(p-alkoxyphenyl)methanols: A Novel Cationic 1,4-Aryl-Migration Process Chem. Eur. J.2010, 16, 5163-5172.
Qing-An Chen, Xiang Dong, Mu-Wang Chen, Duo-Sheng Wang,Yong-Gui Zhou,* and Yu-Xue Li* Highly Effective and Diastereoselective Synthesis of Axially Chiral Bis-sulfoxide Ligands via Oxidative Aryl Coupling Org. Lett., 2010, 12, 1928-1931.
Senmiao Xu, Zheng Wang, Yuxue Li*, Xumu Zhang, Haiming Wang, and Kuiling Ding* Mechanistic Investigation of Chiral Phosphoric Acid Catalyzed AsymmetricBaeyer–Villiger Reaction of 3-Substituted Cyclobutanoneswith H2O2 as the Oxidant Chem. Eur. J. 2010, 16, 3021-3035.
Chao Zheng, Yi-Fei Sheng, Yu-Xue Li*, Shu-Li You* A theoretical investigation into chiral phosphoric acid-catalyzed asymmetricFriedel–Crafts reactions of nitroolefins and 4,7- dihydroindoles: reactivity andenantioselectivity Tetrahedron 2010, 66, 2875–2880.
Chun-Li Cao, You-Yun Zhou, Jian Zhou, Xiu-Li Sun, Yong Tang,* Yu-Xue Li*, Guang-Yu Li, and Jie Sun An Organocatalytic Asymmetric Tandem Reaction for the Construction ofBicyclic Skeletons Chem. Eur. J. 2009, 15, 11384-11389.
Jinbo Zhao, Yu Liu,Qiwen He, Yuxue Li* and Shengming Ma* Experimental and Theoretical Study of Tunable 1,3-Lithium Shift of Propargylic/Allenylic Species, Transmetallation, and Pd- Catalyzed Cross-Coupling Reactions Chem. Eur. J. 2009, 15, 11361-11372.
Wei Li, Min Shi* and Yuxue Li* Brønsted Acid Mediated Novel Rearrangements of Diarylvinylidenecyclopropanes and Mechanistic Investigations Based on DFT Calculations Chem. Eur. J. 2009, 15, 8852-8860.
Hao Zhang, Xiaoping Fu, Jingjin Chen, Erjuan Wang, Yuanhong Liu and Yuxue Li* Generation of Allenic/Propargylic Zirconium Complexes and SubsequentCross-Coupling Reactions: A Facile Synthesis of Multisubstituted Allenes J. Org. Chem. 2009, 74, 9351–9358.
Da-Wei Wang, Xiao-Bing Wang, Duo-Sheng Wang, Sheng-Mei Lu,Yong-Gui Zhou* and Yu-Xue Li* Highly Enantioselective Iridium-Catalyzed Hydrogenation of 2-Benzylquinolines and 2-Functionalized and 2,3-Disubstituted Quinolines J. Org. Chem. 2009, 74, 2780–2787.
Yebing Zhou, Jingjin Chen, Chunbin Zhao, Erjuan Wang, Yuanhong Liu* and Yuxue Li* Stereoselective Synthesis of β-Hydroxyallenes with Multiple ContiguousStereogenic Centers via Aldehyde Addition to r-Alkenyl-SubstitutedZirconacyclopentenes J. Org. Chem. 2009, 74, 5326-5330.
Wei Zeng, Guo-Ying Chen, Yong-Gui Zhou* and Yu-Xue Li* Hydrogen Bonding Directed Reversal of Enantioselectivity J. Am. Chem. Soc. 2007, 129,750-751.
Li-Xiong Shao, Yu-Xue Li* and Min Shi* Silica Gel Triggered Transformations of 3-Methylenecyclopropylmethyl Sulfonates to 3-Methylenecyclobutyl Analogues: Experimental and Computational Studies Chem. Eur. J. 2007, 13, 862-869.
Yuxue Li, YunDong Wu* Theoretical Study on the Structure of Poly ((R)-3- hydroxybutanoic acid) J. Phys. Chem. A 2003, 107, 5128-5137.
Yuxue Li, Yuanhe Huang*, Shixuan Du, Ruozhuang Liu, Structures and Stabilities of C36-rings Carbon 2002, 40, 2255–2262.
Yuxue Li, Yuanhe Huang*, Shixuan Du, Ruozhuang Liu, Structures and Stabilities of C60-rings Chem. Phys. Lett. 2001, 335, 524-532.
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