个人简历

2002.9～2004.7 吉林大学理论化学研究所硕士研究生\r
2004.9～2007.6 吉林大学理论化学研究所博士研究生\r
2007.7～2009.9 山东大学化学与化工学院博士后, 讲师，步宇翔教授\r
2009.9～2016.9 吉林大学理论化学研究所, 副教授\r
2011.6～2013.3 瑞典隆德大学理论化学系， Prof. Ulf Ryde\r
2013.4～2016.9 德国柏林工业大学化学系，Prof. Helmut Schwarz\r
2013.1～至今 吉林大学理论化学研究所, 博士生导师\r
2016.9～至今 吉林大学理论化学研究所, 教授

研究领域

"""""[1]静电和电荷诱导的甲烷协同双C–H插入 (concerted double C–H bond insertion)\r
目前甲烷C–H活化机制研究中报道的都聚焦在单C–H键活化作为初始和关键步骤，无论经典的氢原子转移(hydrogen-atom transfer

近期论文

Caiyun Geng, Jilai Li*, Thomas Weiske, Maria Schlangen, Sason Shaik*, Helmut Schwarz*\r
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C–H Bond Insertion\r
Journal of the American Chemical Society 2017, 139, 1684–1689.DOI: 10.1021/jacs.6b12514\r
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Lei Yue, Jilai Li*, Shaodong Zhou, Xiaoyan Sun, Maria Schlangen, Sason Shaik*, Helmut Schwarz*\r
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Methane Activation\r
Angewandte Chemie International Edition 2017, 56, DOI: 10.1002/anie.201703485\r
Selected as a Very Important Paper & Back Cover.\r
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Caiyun Geng, Jilai Li*, Thomas Weiske, Maria Schlangen, Sason Shaik*, Helmut Schwarz*\r
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C–H Bond Insertion\r
Journal of the American Chemical Society 2017, 139, 1684–1689. DOI: 10.1021/jacs.6b12514\r
\r
Jilai Li, Shaodong Zhou, Maria Schlangen, Thomas Weiske, Helmut Schwarz*\r
Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+ with Methane Under Ambient Conditions\r
Angewandte Chemie International Edition 2016, 55, 13072–13075. DOI: 10.1002/anie.201606707.\r
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Jilai Li, Shaodong Zhou, Jun Zhang, Maria Schlangen, Dandamudi Usharani, Sason Shaik*, Helmut Schwarz*\r
Mechanistic Variants in Gas-phase Metal-oxide Mediated Activation of Methane at Ambient Conditions\r
Journal of the American Chemical Society 2016, 138, 11368–11377. DOI: 10.1021/jacs.1026b07246\r
Spotlighted, DOI: 10.1021/jacs.1026b09412.\r
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Jilai Li, Shaodong Zhou, Jun Zhang, Maria Schlangen, Thomas Weiske, Dandamudi Usharani, Sason Shaik*, Helmut Schwarz*\r
Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+ (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer versus Hydrogen-Atom Transfer\r
Journal of the American Chemical Society 2016, 138, 7973–7981. DOI: 10.1021/jacs.6b03798 \r
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Jilai Li, Xiao-Nan Wu, Maria Schlangen, Shaodong Zhou, Patricio González-Navarrete, Shiya Tang, Helmut Schwarz*\r
On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga2Mg2O5]•+ in the Thermal Activation of Methane and Ethane: An Unusual Doping Effect \r
Angewandte Chemie International Edition 2015, 54, 5074-5078. DOI: 10.1002/anie.201412441 \r
Selected as a Very Important Paper\r
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Jilai Li, Xiao-Nan Wu, Shaodong Zhou, Shiya Tang, Maria Schlangen, Helmut Schwarz*\r
Distinct Mechanistic Differences in the Hydrogen-Atom Transfer from Methane and Water by the Heteronuclear Oxide Cluster [Ga₂MgO₄]•+ \r
Angewandte Chemie International Edition 2015, 54, 12298–12302. DOI: 10.1002/anie.201584261\r
Selected as a Frontispiece article \r
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Jilai Li, Shaodong Zhou, Xiao-Nan Wu, Shiya Tang, Maria Schlangen, Helmut Schwarz*\r
On the Mechanisms of Hydrogen-Atom Transfer from Water to the Heteronuclear Oxide Cluster [Ga2Mg2O5]•+: Remarkable Electronic Structure Effects \r
Angewandte Chemie International Edition 2015, 54, 11861–11864. DOI: 10.1002/anie.201505336\r
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Jilai Li, Maryam Farrokhnia, Lubomír Rulíšek, Ulf Ryde*\r
Catalytic Cycle of Multicopper Oxidases Studied by Combined Quantum and Molecular-Mechanical Free-Energy Perturbation Methods \r
The Journal of Physical Chemistry B 2015, 119, 8268–8284. DOI: 10.1021/acs.jpcb.5b02864\r
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Ji-Lai Li, Ricardo A. Mata, and Ulf Ryde*\r
Large Density-Functional and Basis-Set Effects for the DMSO Reductase Catalyzed Oxo-Transfer Reaction\r
Journal of Chemical Theory and Computation 2013, 9, 1799-1807. DOI: 10.1021/ct301094r