【学习及工作经历】

2018.9-至今        威廉希尔中文网站平台，william威廉亚洲官方，教授

2014.9-2018.8    美国匹兹堡大学，博士后，合作导师：Prof. Peng Liu

2012.8-2014.8    中科院福建物质结构研究所，助理研究员，合作导师：郭国聪 研究员

2008.9-2012.7    中国科学院大学，博士，导师：汪志祥 教授

2005.9-2008.7    西北农林科技大学，硕士

2001.9-2005.7    西北农林科技大学，学士  

【主讲课程】

【研究领域和兴趣】

理论与计算有机化学：利用计算化学的手段研究有机反应如何发生，以及如何改进。课题组将针对过渡金属催化有机反应中的若干核心问题开展理论计算研究。同时，我们将积极与实验化学家开展合作，协同攻克合成有机化学中极具挑战的难题。

总体研究思路：化学模型 → 反应规律 → 理解和预测。通过建立合理的化学模型来理解目标反应活性和选择性的根源，探索催化剂、底物、添加剂等因素影响反应的一般规律，最终达到预测和调控反应结果的目的。

【主要论著】

Selected Publications

25) Zhang, X.; Lu, G.; Sun, M.; Mahankali, M.; Ma, Y.; Zhang, M.; Hua, W.; Hu, Y.; Wang, Q.; Chen, J.; He, G.*; Qi, X.*; Shen, W.*; Liu, P.*; Chen, G.* “A General Strategy for Synthesis of Cyclophane-Braced Peptide Macrocycles via Palladium-Catalyzed Intramolecular sp3 C−H Arylation”, Nat. Chem. 2018, 10, 540-548.

24) Lv, X.; Huang, F.; Wu, Y.-B.; Lu, G.* “Origin of ligand effects on reactivities of pincer-Pd catalyzed hydrocarboxylation of allenes and alkenes with formate salts: a computational study”, Catal. Sci. Technol.2018, 8, 2835-2840.

23) Lu, G.; Shao, H.;Omer, H.; Liu, P.* “Issues Particular to Organometallic Reactions” in “Applied Theoretical Organic Chemistry”, Ed. Tantillo, D., World Scientific, 2018. (book chapter)

22) Lv, X.; Wu, Y.-B.; Lu, G.* “Computational exploration of ligand effects in copper-catalyzed boracarboxylation of styrene with CO₂”, Catal. Sci. Technol. 2017, 7, 5049-5054. (Hot Article)

21) O’Duill, M.; Matsuura, R.;Wang, Y.; Turnbull, J.; Gurak, J.; Gao, D.; Lu, G.; Liu, P.*; Engle, K.* “Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization”,J. Am. Chem. Soc. 2017, 139, 15576-15579.

20) Lu, G.; Yang Y.; Liu, R. Y.; Fang, C.; Lambrecht, D. S.*; Buchwald, S. L.*; Liu, P.* “Ligand-Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins”, J. Am. Chem. Soc. 2017,139, 16548-16555. (Top 20 most read JACS papers in November, 2017.)

19) Burrows, L. C.; Jesikiewicz, L. T.; Lu, G.; Geib, S. J.; Liu, P.*; Brummond, K. M.* “Computationally-Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson−Khand Reaction of Allenyl Acetates”, J. Am. Chem. Soc. 2017, 139, 15022-15032.

18) Wang, H.; Lu, G.; Sormunen, G. J.; Malik, H. A.; Liu, P.*; Montgomery, J.* “NHC Ligands Tailored for Simultaneous Regio- and Enantiocontrol in Nickel-Catalyzed Reductive Couplings”, J. Am. Chem. Soc. 2017,139, 9317-9324.

17) Lv, X.; Lu, G.*; Wang, Z.-Q.; Xu, Z.-N.*; Guo, G.-C.* “Computational Evidence for Lewis Base-Promoted CO₂ Hydrogenation to Formic Acid on Gold Surfaces”, ACS Catal. 2017, 7, 4519-4526.

16) Lv, X.; Zhang, L.; Sun, B.; Li, Z.; Wu, Y.-B.; Lu, G.* “Computational Studies of Rh-Catalyzed Carboxylation of the C(sp²)–H Bond Using CO₂”, Catal. Sci. Technol. 2017, 7, 3539-3545.

15) Xia, Y.; Lu, G.; Liu, P.*; Dong, G.* “Catalytic Activation of Carbon–Carbon Bonds in Cyclopentanones”,Nature 2016, 539, 546-550.

14) He, G.*; Lu, G.; Guo, Z.; Liu, P.*; Chen, G.* “Benzazetidine Synthesis via Palladium-Catalyzed Intramolecular C−H Amination”, Nat. Chem. 2016, 8, 1131-1136.

13) Yang, Y.; Perry, I. B.; Lu, G.; Liu, P.*; Buchwald, S. L.* “Copper-Catalyzed Asymmetric Addition of Olefin-Derived Nucleophiles to Ketones”, Science 2016, 353, 144-150.

12) Kennedy, N.*; Lu, G.; Liu, P.*; Cohen, T.* “Reductive Lithiation in the Absence of Aromatic Electron Carriers. A Steric Effect Manifested on the Surface of Lithium Metal Leads to a Difference in Relative Reactivity Depending on Whether the Aromatic Electron Carrier Is Present or Absent”, J. Org. Chem. 2015, 80, 8571-8582.

11) Lu, G.; Fang, C.; Xu, T.; Dong, G.; Liu, P.*“Computational Study of Rh-Catalyzed Carboacylation of Olefins: Ligand-Promoted Rhodacycle Isomerization Enables Regioselective C–C Bond Functionalization of Benzocyclobutenones”, J. Am. Chem. Soc. 2015, 137, 8274-8283.

10) Engle, K. M.; Lu, G.; Luo, S.-X.; Henling, L. M.;Takase, M. K.; Liu, P.*; Houk, K. N.*; Grubbs, R. H.* “Origins of Initiation Rate Differences in Ruthenium Olefin Metathesis Catalysts Containing Chelating Benzylidenes”, J. Am. Chem. Soc. 2015, 137, 5782-5792.

9) Lu, G.; Zhang, P.; Sun, D.; Wang, L.; Zhou, K.; Wang, Z.-X.*; Guo, G.-C.* “Gold Catalyzed Hydrogenations of Small Imines and Nitrites: Enhanced Reactivity of Au Surface Toward H₂ via Collaboration with a Lewis Base”, Chem. Sci. 2014, 5, 1082-1090.

8) Chen, Z.-W.; Lu, G.; Li, P.-X.; Lin, R.-G.; Cai, L.-Z.; Wang, M.-S.*; Guo, G.-C.* “Influence of Supramolecular Interactions on Electron-Transfer Photochromism of the Crystalline Adducts of 4,4'-Bipyridineand Carboxylic Acids”, Cryst. Growth Des. 2014, 14, 2527-2531.

7) Wang, L.; Lu, G.; Yang, D.; Wang, J.; Zhu, Z.;Wang, Z.*; Zhou, K.* “Manipulation of the Reducibility of Ceria-Supported Au Catalysts by Interface Engineering”, Chematchem 2013, 5,1308-1312.

6) Zhao, L.; Huang, F.; Lu, G.; Wang, Z.-X.*; Schleyer, P. v.R.* “Why the Mechanisms of Digermyne and Distannyne Reactions with H₂ Differ So Greatly”, J. Am. Chem. Soc. 2012, 134, 8856-8868.

5) Lu, G.^#; Li, H.^#; Zhao,L.; Huang, F.; Schleyer, P. v. R.*; Wang, Z.-X.* “Designing Metal-Free Catalysts by Mimicking Transition-Metal Pincer Templates”, Chem. Eur. J. 2011, 17, 2038-2043. (^#equal contributions)

4) Huang, F.; Lu, G.; Zhao, L.; Li, H.; Wang, Z.-X.* “The Catalytic Role of N-Heterocyclic Carbene in a Metal-Free Conversion of Carbon Dioxide into Methanol: A Computational Mechanism Study”, J. Am. Chem. Soc. 2010, 132, 12388-12396.

3) Lu, G.; Zhao, L.; Li, H.; Huang, F.; Wang, Z.-X.* “Reversible Heterolytic Methane Activation of Metal-Free Closed-Shell Molecules: A Computational Proof-of-Principle Study”, Eur. J. Inorg. Chem. 2010, 2010, 2254-2260.

2) Lu, G.; Li, H.; Zhao, L.; Huang, F.; Wang, Z.-X.* “Computationally Designed Metal-Free Hydrogen Activation Site: Reaching the Reactivity of Metal-Ligand Bifunctional Hydrogenation Catalysts”, Inorg. Chem.2010, 49, 295-301.

1) Wang, Z.*; Lu, G.; Li, H.; Zhao, L. “Encumbering the intramolecular pi donation by using a bridge: a strategy for designing metal-free compounds to hydrogen activation”, Chin. Sci. Bull. 2010, 55, 239-245.

【科研项目】

威廉希尔中文网站平台齐鲁青年学者科研启动资金，2018-2023，在研、主持。

【科研成果】

1）首次建立了配体–底物相互作用模型，该模型能够快速、定量地拆分催化剂和底物之间的复杂相互作用，可广泛用于研究过渡金属催化反应的本质。相关成果发表于J. Am. Chem. Soc.。

2）揭示了铑催化环戊酮和苯并环丁酮C-C键活化的活性和选择性的根源，相关成果发表于Nature (与Guangbin Dong合作) 和J. Am. Chem. Soc.。

3）阐明了基于铜催化烯烃-酮偶联反应合成含有连续手性中心的醇的反应机理及立体选择性的根源，相关成果发表于Science (与Buchwald合作)。

4）揭示了基于钯催化C-H键活化构建高环张力的苯并氮杂环丁烷和大环多肽的反应本质，相关成果发表于Nat. Chem. (2篇，与Gong Chen合作)。

5）基于金表面和Lewis碱的协同作用，设计了金表面催化的亚胺和CO2氢化反应，相关成果发表于Chem. Sci.和ACS Catal.。

【联合培养情况】

【拟招收研究生情况】

2019年拟招收硕士研究生1-2人；博士研究生1-2人；博士后1人；本科生（人数不限）；

欢迎化学、物理、材料专业的同学报考硕士、博士研究生；

欢迎联系进行博士后或访问学者研究 。