张欣豪 - 北京大学深圳研究生院 - 深圳市计算化学与药物设计重点实验室

个人简介

教育及学术经历 2011 - 现在: 副教授，博导北京大学深圳研究生院 2008 -2010: 洪堡学者柏林工业大学 (Technische Universität Berlin) 物理有机化学导师: Prof. Dr. Drs. h.c. Helmut Schwarz 2002 - 2007: 博士香港科技大学理论有机化学导师: 吴云东院士 1998 - 2002: 学士（化学）中国科学技术大学获奖情况 2012: 深圳市海外高层次人才 2012：深圳市高层次人才—地方领军人才 2008 - 2010: 亚历山大∙冯∙洪堡奖学金 1999 - 2001: 中国科大优秀奖学金 1999: 可口可乐杯——中国科大第10届辩论赛冠军

研究领域

结合质谱与计算化学方法于理解各类催化反应机理及筛选新催化剂建立金属离子-生物小分子结合能的数据库并发展新的无机力场和过渡态力场研究蛋白质-配体相互作用及设计新型无机药物开发气相中的手性分子识别

近期论文

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Gui-Juan Cheng, Li-Juan Song, Yun-Fang Yang, Xinhao Zhang,* Olaf Wiest,* Yun-Dong Wu,* “Computational Studies on the Mechanism of the Copper-Catalyzed sp3-C-H Cross- Dehydrogenative Coupling Reaction” ChemPlusChem 2013, 78, 943-951. Lizhi Zhu, Chongshan Zhou, Wei Yang, Shuzhong He, Gui-Juan Cheng, Xinhao Zhang,* Chi-Sing Lee,* “Formal Syntheses of (±)-Platensimycin and (±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach.” J. Org. Chem. 2013, 78, 7912-7929. Shengtao Ding, Li-Juan Song, Lung Wa Chung, Xinhao Zhang, Jianwei Sun, Yun-Dong Wu, Ligand-Controlled Remarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation of Internal Alkynes: Experimental and Theoretical Studies. J. Am. Chem. Soc. 2013, 135, 13835-13842. Yun-Fang Yang, Gui-Juan Cheng, Peng Liu, Dasheng Leow, Tian-Yu Sun, Ping Chen, Xinhao Zhang, Jin-Quan Yu,* Yun-Dong Wu,* Ken N. Houk,* Palladium-Catalyzed meta-Selective C–H Bond Activation with a Nitrile-Containing Template: A Computational Study on Mechanism and Origins of Selectivity J. Am. Chem. Soc. 2014, 136, 344-355. Gui-Juan Cheng, Yun-Fang Yang, Peng Liu, Ping Chen, Tian-Yu Sun, Gang Li, Xinhao Zhang, Ken N. Houk,* Jin-Quan Yu,* Yun-Dong Wu,* Role of N-Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C–H Activation of Tethered Arenes J. Am. Chem. Soc. 2014, 136, 894-897. Liping Xu, Margaret J. Hilton, Xinhao Zhang, Per-Ola Norrby,* Yun-Dong Wu,* Matthew S. Sigman,* Olaf Wiest,* Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols J. Am. Chem. Soc. 2014, 136, 1960-1967. Pingping Duan, Yunfang Yang, Rong Ben, Yiyong Yan, Lu Dai, Mei Hong, Yun-Dong Wu, Dongqi Wang,* Xinhao Zhang,* Jing Zhao,* Palladium-catalyzed benzo[d]isoxazole synthesis by C-H activation/[4 + 1] annulations. Chem. Sci. 2014, 5, 1574-1578. Fengtao Zhou, Gui-Juan Cheng, Wenqiang Yang, Yan Long, Shasha Zhang, Yun-Dong Wu, Xinhao Zhang,* Qian Cai* Enantioselective Formation of Cyano-Bearing All-Carbon Quaternary Stereocenters: Desymmetrization by Copper-Catalyzed N-Arylation. Angew. Chem. Int. Ed. 2014, 53, 9555-9559. Huan Sun , Chengming Wang , Yun-Fang Yang , Ping Chen , Yun-Dong Wu *, Xinhao Zhang *, Yong Huang * Synthesis of Indolo[2,1-a]isoquinolines via a Triazene-Directed C–H Annulation Cascade J. Org. Chem. 2014, 79, 11863-11872 Yun-Fang Yang, Lung Wa Chung, Xinhao Zhang, K.N. Houk,* Yun-Dong Wu,* Ligand-Controlled Reactivity, Selectivity, and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones, and Nitriles: A Theoretical Study, J. Org. Chem. 2014, 79, 8856-8864. Gui-Juan Cheng, Xinhao Zhang, Lung Wa Chung, Liping Xu, Yun-Dong Wu,* Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions, J. Am. Chem. Soc. 2015, 137, 1706-1725 Jialing Shi, Ting Wang, Yusha Huang, Xinhao Zhang,* Yun-Dong Wu,* Qian Cai,* Pd-Catalyzed Asymmetric Intramolecular Aryl C–O Bond Formation with SDP(O) Ligand: Enantioselective Synthesis of (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanols, Org. Lett. 2015, 17, 840-843. Shengtao Ding, Li-Juan Song, Yong Wang, Xinhao Zhang,* Lung Wa Chung,* Yun-Dong Wu,* Jianwei Sun,* Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions Angew. Chem. Int. Ed. 2015, 54, 5632-5635 Gui-Juan Cheng, Ping Chen, Tian-Yu Sun, Xinhao Zhang,* Jin-Quan. Yu,* Yun-Dong Wu,* A Combined IM-MS/DFT Study on [Pd(MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework Chem. Eur. J., 2015, 21, 11180-11188 Yong-Hui Sun, Tian-Yu Sun, Yun-Dong Wu, Xinhao Zhang,* Yu Rao,* A diversity-oriented synthesis of bioactive benzanilides via a regioselective C(sp2)-H hydroxylation strategy. Chem. Sci.2016, 7, 2229-2238 Tian-Yu Sun, Xiao Wang, Hao Geng, Yaoming Xie, Yun-Dong Wu, Xinhao Zhang,* Henry F. Schaefer III,* Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents. Chem. Commun. 2016, 52, 5371-5374 Le Liu, Tonghuan Zhang, Yun-Fang Yang, Daisy Zhang-Negrerie, Xinhao Zhang, Yunfei Du,* Yun-Dong Wu,* Kang Zhao,* Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study. J. Org. Chem. 2016, 81, 4058-4065 Xinhao Zhang,* Lung Wa Chung,* Yun-Dong Wu,* New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry. Acc. Chem. Res. 2016, 49, 1302-1310 Huan Sun, Yi Zhang, Ping Chen, Yun-Dong Wu,* Xinhao Zhang,* Yong Huang,* Ligand-Assisted Palladium(II)/(IV) Oxidation for sp3 C-H Fluorination. Adv. Synth. Catal. 2016, 358 (12), 1946-1957 Li-Juan Song, Shengtao Ding, Yong Wang, Xinhao Zhang,* Yun-Dong Wu,* Jianwei Sun,* Ir-Catalyzed Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes: A Combined Experimental and Computational Study. J. Org. Chem. 2016, ASAP, DOI: 10.1021/acs.joc.6b00854