各位拟调剂的2021化学考生： 现在黄旭日、李吉来教授课题组还有1个硕士名额空缺。 请仔细阅读一下信息，有明确意向再发邮件。 1. 只接受一志愿报考吉林大学化学学院的学生。 2. 各科都达到2021吉林大学研究生复试的初试成绩基本要求 理学[07] 政治 50 外语 50 业务课一90 业务课二90 3. 跟帖无效，如有意，请发邮件 附带简历并包含考验成绩、年龄、本科院校、生源所在地、电话等信息 至jilai--at--jlu.edu.cn 4. 谢谢，并祝各位调剂考生一切顺利！good luck! 简介如下 李吉来 博士，教授，吉林大学理论化学研究所 1977年6月生。2002年于曲阜师范大学大学获学士学位，2007年于吉林大学大学获博士学位。2009至2016任吉林大学副教授，2012至今任吉林大学博士生导师，2016至今任吉林大学教授。2013至今德国柏林工业大学高级访问学者。 研究方向、主要学术成绩 以国家重大需求为导向，聚焦关键异相催化过程相关科学问题，从分子层面理解影响复杂体系反应的关键因素，阐释基元步骤反应动力学微观本质，并最终服务于工业催化过程的设计与优化，实现能源的清洁、高效利用和无损耗转化。通过实验与理论的有机结合在创造新分子、发现新反应、建立新机制、提出新概念方面取得突出成果，代表性工作如下： 关联甲烷经典氢原子转移中能垒与自旋密度、掺杂两概念；首次发现反应诱导自旋密度定域化并激活经典氢原子转移；率先提出甲烷质子耦合电子转移机制并归纳活性位点路易斯酸碱对与能垒的内在联系；首次提出甲烷氢负离子转移机理并阐明其先决条件；首次发现甲烷双氢协同转移机制，率先在离子分子反应中率先引入外电场概念对反应机制进行本源性阐释，提出电诱催化概念；探索并总结甲烷氢转移机制的多样性、规律性及机制间相互转变；发现打破氢原子转移机理与几何结构关联性的案例等。此外，在复杂体系计算方法、分子激发态、瞬时反应中间体等领域也取得标志性成果。 近五年来以第一通讯作者发表SCI论文29篇，包括6篇J. Am. Chem. Soc.、8篇Angew. Chem. Int. Ed.和2篇Proc. Natl. Acad. Sci.。作为合作者发表其他SCI论文23篇，包括1篇J. Am. Chem. Soc.、9篇Angew. Chem. Int. Ed.和1篇 Acc. Chem. Res.。研究工作有深度、创新性和特色，获得国际同行的认可，11篇论文入选杂志的封面、扉页、VIP和热点文章，部分原创性工作被国际同行誉为教科书式的发现。 代表作 2015-2020 [1] Jilai Li*, Caiyun Geng, Thomas Weiske, Mingfei Zhou*, Jun Li*, Helmut Schwarz* Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum-Chemical Assessment Angew. Chem. Int. Ed. 2020, 59, 1726117265. DOI: 10.1002anie.202007990. [2] Jilai Li*, Caiyun Geng, Thomas Weiske, Helmut Schwarz* On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC+ with Dihydrogen Angew. Chem. Int. Ed. 2020, 59, 9370-9376. DOI: 10.1002anie.202001599 Selected as HOT Paper [3] Jilai Li*, Caiyun Geng, Thomas Weiske, Helmut Schwarz* Counter-intuitive Gas-phase Reactivities of [V2]+ and [V2O]+ towards CO2 Reduction: Insight from Electronic Structure Calculations Angew. Chem. Int. Ed. 2020, 59, 12308-12314. DOI: 10.1002anie.202001223 Highlighted as the Frontispiece article [4] Caiyun Geng, Jilai Li*, Thomas Weiske, Helmut Schwarz* Complete Cleavage of the NN Triple Bond by Ta2N+ via Degenerate Ligand Exchange at Ambient Temperature: A Perfect Catalytic Cycle Proc. Natl. Acad. Sci. USA 2019, 116, 2141621420. DOI: 10.1073pnas.1913664116 [5] Caiyun Geng, Jilai Li*, Thomas Weiske, Helmut Schwarz* A Reaction-Induced Localization of Spin Density Enables Thermal CH Bond Activation of Methane by Pristine FeC4+ Chem. Eur. J. 2019, 25, 1294012945. DOI: 10.1002chem.201902572 Inside Cover Chem. Eur. J. 2019, 25, 12852 DOI: 10.1002chem.201903217 [6] Caiyun Geng, Thomas Weiske, Jilai Li*, Sason Shaik*, Helmut Schwarz* Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects J. Am. Chem. Soc. 2019, 141, 599-610. DOI: 10.1021jacs.8b11739 [7] Caiyun Geng, Jilai Li*, Thomas Weiske, Helmut Schwarz* Ta2+ Mediated Ammonia Synthesis from N2 and H2 at Ambient Temperature Proc. Natl. Acad. Sci. USA 2018, 115, 11680-11687. DOI: 10.1073pnas.1814610115 [8] Caiyun Geng, Jilai Li*, Thomas Weiske, Helmut Schwarz* Thermal OH Bond Activation of Water as Mediated by Heteronuclear [Al2Mg2O5]+: Evidence for Oxygen-Atom Scrambling J. Am. Chem. Soc. 2018, 140, 9275-9281. DOI: 10.1021jacs.8b05618 [9] Helmut Schwarz*, Sason Shaik*, Jilai Li* Electronic Effects on Room-Temperature, Gas-Phase CH Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge J. Am. Chem. Soc. 2017, 139, 1720117212. DOI: 10.1021jacs.7b10139 [10] Lei Yue, Jilai Li*, Shaodong Zhou, Xiaoyan Sun, Maria Schlangen, Sason Shaik*, Helmut Schwarz* Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Methane Activation Angew. Chem. Int. Ed. 2017, 56, 1021910223. DOI: 10.1002anie.201703485 Selected as Very Important Paper Back Cover [11] Caiyun Geng, Jilai Li*, Thomas Weiske, Maria Schlangen, Sason Shaik*, Helmut Schwarz* Electrostatic and Charge-Induced Methane Activation by a Concerted Double CH Bond Insertion J. Am. Chem. Soc. 2017, 139, 16841689. DOI: 10.1021jacs.6b12514 [12] Jilai Li, Shaodong Zhou, Maria Schlangen, Thomas Weiske, Helmut Schwarz* Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+ with Methane Under Ambient Conditions Angew. Chem. Int. Ed. 2016, 55, 1307213075. DOI: 10.1002anie.201606707. [13] Jilai Li, Shaodong Zhou, Jun Zhang, Maria Schlangen, Dandamudi Usharani, Sason Shaik, Helmut Schwarz* Mechanistic Variants in Gas-phase Metal-oxide Mediated Activation of Methane at Ambient Conditions J. Am. Chem. Soc. 2016, 138, 1136811377. DOI: 10.1021jacs.102607246 Spotlighted, DOI: 10.1021jacs.1026b09412 [14] Jilai Li, Shaodong Zhou, Jun Zhang, Maria Schlangen, Thomas Weiske, Dandamudi Usharani, Sason Shaik*, Helmut Schwarz* 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 J. Am. Chem. Soc. 2016, 138, 79737981. DOI: 10.1021jacs.6b03798 [15] Jilai Li, Shaodong Zhou, Xiao-Nan Wu, Shiya Tang, Maria Schlangen, Helmut Schwarz* On the Mechanisms of Hydrogen-Atom Transfer from Water to the Heteronuclear Oxide Cluster [Ga2Mg2O5]+: Remarkable Electronic Structure Effects Angew. Chem. Int. Ed. 2015, 54, 1186111864. DOI: 10.1002anie.201505336 [16] Jilai Li, Xiao-Nan Wu, Shaodong Zhou, Shiya Tang, Maria Schlangen, Helmut Schwarz* Distinct Mechanistic Differences in the Hydrogen-Atom Transfer from Methane and Water by the Heteronuclear Oxide Cluster [Ga2MgO4]+ Angew. Chem. Int. Ed. 2015, 54, 1229812302. DOI: 10.1002anie.201584261 Highlighted as frontispiece article [17] Jilai Li, Xiao-Nan Wu, Maria Schlangen, Shaodong Zhou, Patricio Gonzlez-Navarrete, Shiya Tang, Helmut Schwarz* 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 Angew. Chem. Int. Ed. 2015, 54, 5074-5078. DOI: 10.1002anie.201412441 Selected as VIP