教授-吉林大学理论化学计算实验室

教授

刘慧玲
职  称:
教授,硕士生导师
专  业:
物理化学
研究方向:
化学反应机理,有机金属催化
主  页:
Home URL
联系方式
电 话:
--
邮 箱:
huiling@jlu.edu.cn
办公室:
吉林大学前卫北区科技楼407
实验室:
吉林大学前卫北区科技楼312
个人简历

工作经历:

2016至今 吉林大学理论化学研究所,教授
2015-2016昆士兰大学,澳大利亚生物与纳米技术研究所,访问学者
2008-2016吉林大学理论化学研究所,副教授
2006-2008吉林大学理论化学研究所,讲师

教学任务:

硕士研究生课程《量子化学计算方法》

承担项目:

主持国家自然科学基金项目1项
参加国家自然科学基金项目3项
研究兴趣
(1)过渡金属催化的有机合成反应机理
(2)金属催化的C-H键活化反应
(3)小分子与自由基反应与异构化过程
荣誉奖励
代表性论文

(1) Qin, Pei-yu,Feng, Wei,Wang, Rui,Zhao, Huan-yu,Liu, Hui-ling ,Huang, Xu-ri,Sun, Kai ,Theoretical investigation on the mechanism of ferrocenecarboxaldehyde-catalyzed direct beta-alkylation of 1-phenylethanol with benzyl alcohol,Polyhedron,2016,111:179-184.

(2) Zhang, Dan-Dan,Chen, Xian-Kai,Liu, Hui-Ling ,Huang, Xu-Ri,DFT study on the iridium-catalyzed multi-alkylation of alcohol with ammonia,RSC Advances,2016,6(90):87362-87372.

(3) Zhang Dandan,Chen Kaixian,Liu Huiling ,Huang Xuri ,An theoretical investigation of reaction site of 2,4,6-trifluorobenzophenone,2,4,6-trifluorophenylsulfone with hydroquinone,High Performance Polymers,2015,27(7):868-876.

(4) Zhao Guoming,Liu Huiling ,Huang Xuri,Yang Xue,Xie Yupeng,DFT Study on the Homogeneous Palladium-Catalyzed N-Alkylation of Amines with Alcohols,ACS Catalysis,2015,5(10):5728-5740.
(5) Zhang Dandan,Chen Xiankai,Liu Huiling ,Huang Xuri ,Hydrogen generation from alcohols (alpha-hydroxy carboxylic acids) and alcohol-ammonia coupling in aqueous media catalysed by water-soluble bipyridine-(CpIr)-Ir-*(Rh or OS) catalyst:a computational mechanism insight,Molecular Physics,2015,113(12):1400-1412.

(6) Haixia Xu,Min Zhang,Yanyang Chen,Huiling Liu ,Kejin Xu ,Xuri Huang,The catalytic activity of Pt6M (M=Pt, Ru, Sn) cluster for methanol partial oxidation,Computational and Theoretical Chemistry,2015,1061:52-59.

(7) Zhao Guoming,Liu Huiling ,Huang Xuri ,Zhang Dandan,Yang Xue,Mechanistic study on the Cp*iridium-catalyzed N-alkylation of amines with alcohols,RSC Advances,2015,5(29):22996-23008.

(8) Zhang Dandan,Chen, Xiankai,Liu Huiling ,Huang Xuri,Mechanistic studies on the pH-controllable interconversion between hydrogen and fornic acid in water: DFT insights,New Journal of Chemistry,2015,39(10):8060-8072.
(9) Qi Qiaofang,Liu Huiling ,Feng Wei,Tian Hongwei,Xu Haixia,Huang Xuri ,Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT methods,Computational Materials Science,2015,96:268-276.
(10) Jiang, Haiyang,Zhao, Huanyu,Zhang, Min,Liu, Huiling ,Huang, Xuri,Theoretical investigation on mechanism of asymmetric Michael addition of trans-1-nitro-2-phenylethylene to 2-methylpropionaldehyde catalyzed by a Cinchona alkaloid-derived primary amine,Structural Chemistry,2014,25(5):1343-1357.

(11) Zhang, Dandan,Chen, Xiankai,Liu, Huiling ,Huang, Xuri ,A computational mechanistic study of pH-dependent alcohol dehydrogenation catalyzed by a novel [C,N] or [C,C] cyclometalated Cp*Ir complex in aqueous solution,NewJ.Chem,,2014,34(8):3862-3873.
(12) Jiang Haiyang,Feng Wei,Sun Yanwei,Qi Qiaofang,Tian Hongwei,Liu Huiling ,Huang Xuri ,Theoretical Studies on the Conjugate Addition of 1-Bromonitromethane to Benzylidene Acetone Catalyzed by 9-Amino-9-deoxyepiquinine,Chemical Journal of Chinese Universities,2014,35(7):1500-1508.

(13) Zhao, Guoming,Liu, Huiling ,Zhang, Dandan,Huang, Xuri ,Yang, Xue,DFT Study on Mechanism of N?Alkylation of Amino Derivatives with Primary Alcohols Catalyzed by Copper(II) Acetate,ACS Catal.,2014,2014(4):2231-2240.
(14) Zhang, Lili,Zhou, Zhongjun,Liu, Huiling ,Huang, Xuri ,An investigation into the mechanism of the imidazolidinone catalyzed cascade reaction,TETRAHEDRON-ASYMMETRY,2013,24(8):474-479.
(15) Tang, Hao,Guan, Jia,Liu, Huiling ,Huang, Xuri ,Comparative Insight into Electronic Properties and Reactivities toward C-H Bond Activation by Iron(IV)-Nitrido, Iron(IV)-Oxo, and Iron(IV)-Sulfido Complexes: A Theoretical Investigation,INORGANIC CHEMISTRY,2013,52(5):2684-2696.
(16) Zhang, Lili,Liu, Huiling ,Yang, Yuhong,Chong, Zhihui,Feng, Tingting,Huang, Xuri ,The mechanism investigation of the imidazolidinone catalyzed five-membered ring synthesis reaction,JOURNAL OF PHYSICAL ORGANIC CHEMISTRY,2013,26(3):232-239.

(17) Zhao Ying,Wan Su-qin,Liu Hui-ling,Huang Xu-ri ,Sun Chia-chung,Theoretical Studies on Structures and Stabilities of C4H2+ Isomers,CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2013,29(1):150-153.
(18) Tang, Hao,Guan, Jia,Liu, Huiling ,Huang, Xuri ,Analysis of an alternative to the H-atom abstraction mechanism in methane C-H bond activation by nonheme iron(IV)-oxo oxidants,DALTON TRANSACTIONS,2013,42(28):10260-10270.
(19) Zhang Lili,Zhou Zhongjun,Jiang Haiyang,Liu Huiling ,Huang Xuri,Theoretical study of the imidazolidinone catalyzed 1,4-addition of N,N-dimethyl-3-anisidine with alpha,beta-unsaturated butyric aldehyde,TETRAHEDRON-ASYMMETRY,2013,24(1):1-6.

(20) Yang, Yuhong,Li, Zhuo,Zhao, Ying,Wan, Suqin,Liu, Huiling ,Huang, Xuri ,Sun, Chiachung,Mechanism for the formation of benzene in the Titan’s atmosphere: A theoretical study on the mechanism of C4H2++C2H4 reaction,Computational and Theoretical Chemistry,2012,991:66-73.

(21) Tang, Hao,Li, Zhuo,Yang, Yu-Hong,Zhao, Ying,Wan, Su-Qin,Liu,  Hui-Ling ,Huang, Xu-Ri ,Comparison of the FeO2+ and FeS2+ Complexes in the Cyanide and Isocyanide LigandEnvironment for Methane Hydroxylation,Journal of ComputationalChemistry,2012,33 (16):1448~1457.
(22) Tang, Hao,Guan, Jia,Zhang, Lili,Liu, Huiling ,Huang, Xuri ,The effect of the axial ligand on distinct reaction tunneling for methane hydroxylation by nonheme iron(IV)-oxo complexes,PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2012,14(37):12863-12874.