李吉来教授简介：男，教授，博士生导师。从事计算化学、反应机理研究。先后主持国家自然科学基金3项。
已在《proc. natl. acad. sci.》、《j. am. chem. soc.》、《angew. chem. int. ed.》等著名学术刊物上发表学术sci论文近100篇。
课题组主要研究方向和产出见近期论文。
有意且第一志愿为吉林大学的同学，请向发邮件: jilai^at^jlu.edu.cn
祝好运！

researcherid: http://www.researcherid.com/rid/m-5210-2013
web of science researcherid: m-5210-2013
orcid: https://orcid.org/0000-0002-3363-9164

近期论文 (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, 17261╟17265. doi: 10.1002/anie.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: 10.1002/anie.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: 10.1002/anie.202001223
highlighted as the frontispiece article
[4] caiyun geng, jilai li*, thomas weiske, helmut schwarz*
complete cleavage of the n≡n triple bond by ta2n+ via degenerate ligand exchange at ambient temperature: a perfect catalytic cycle
proc. natl. acad. sci. usa 2019, 116, 21416╟21420. doi: 10.1073/pnas.1913664116
[5] caiyun geng, jilai li*, thomas weiske, helmut schwarz*
a reaction-induced localization of spin density enables thermal c╟h bond activation of methane by pristine fec4+
chem. eur. j. 2019, 25, 12940╟12945. doi: 10.1002/chem.201902572
inside cover chem. eur. j. 2019, 25, 12852 doi: 10.1002/chem.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: 10.1021/jacs.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: 10.1073/pnas.1814610115
[8] caiyun geng, jilai li*, thomas weiske, helmut schwarz*
thermal o╟h bond activation of water as mediated by heteronuclear [al2mg2o5]•+: evidence for oxygen-atom scrambling
j. am. chem. soc. 2018, 140, 9275-9281. doi: 10.1021/jacs.8b05618
[9] helmut schwarz*, sason shaik*, jilai li*
electronic effects on room-temperature, gas-phase c−h bond activations by cluster oxides and metal carbides: the methane challenge
j. am. chem. soc. 2017, 139, 17201╟17212. doi: 10.1021/jacs.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, 10219╟10223. doi: 10.1002/anie.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 c╟h bond insertion
j. am. chem. soc. 2017, 139, 1684╟1689. doi: 10.1021/jacs.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, 13072╟13075. doi: 10.1002/anie.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, 11368╟11377. doi: 10.1021/jacs.102607246
spotlighted, doi: 10.1021/jacs.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, 7973╟7981. doi: 10.1021/jacs.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, 11861╟11864. doi: 10.1002/anie.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, 12298╟12302. doi: 10.1002/anie.201584261
highlighted as frontispiece article
[17] jilai li, xiao-nan wu, maria schlangen, shaodong zhou, patricio gonzález-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: 10.1002/anie.201412441
selected as vip

researcherid: http://www.researcherid.com/rid/m-5210-2013
web of science researcherid: m-5210-2013
orcid: https://orcid.org/0000-0002-3363-9164

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