学习与工作经历 2015.11–今 天津大学-化学系-副教授 (硕导) 2010.9–2015.7 中国科学院大学-化学学院(博士) 2006.9–2010.7 河南大学-化学化工学院 (学士) 研究领域: (1)有机反应和有机金属均相催化反应的机理研究 (Comput. and Exptl.) (2)新型过渡金属催化剂的理论优化设计及合成研究 (Comput. and Exptl.) (3)新型有机金属化合物的设计、合成、结构及性质研究 (Comput. and Exptl.) 承担科研项目: 国家自然科学基金面上项目:21673156,项目名称:钌催化的炔烃水合还原反应的机理研究及新催化体系的优化设计,直接费用: 65.00万元,项目起止年月:2017.1-2020.12 所获荣誉: 2016年 获中国科学院“优秀博士学位论文” 2015年 获中国科学院“院长特别奖” 2014年 获教育部“博士研究生国家奖学金” 2014年 获中国科学院“朱李月华优秀博士生奖” 2014年 获中国科学院“钱志道化学奖学金” 2012年 获教育部“硕士研究生国家奖学金” 2015年 获北京市“优秀毕业生”和中国科学院“优秀毕业生”等 代表性论文: 在J. Am. Chem. Soc.、ACS Catal.、J. Org. Chem.等国际知名杂志上发表论文20余篇: 1. Dang, Y.; Deng, X.; Guo, J.; Song, C.; Hu, W.; Wang, Z.-X., Unveiling Secrets of Overcoming the “Heteroatom Problem” in Palladium-Catalyzed Aerobic C?H Functionalization of Heterocycles: A DFT Mechanistic Study. J. Am. Chem. Soc. 2016, 138, 2712?2723. (SCI/一区,IF: 13.038) 2. Dang, Y.; Qu, S.; Tao, Y.; Deng, X.; Wang, Z.-X., Mechanistic Insight into Ketone α-Alkylation with Unactivated Olefins via C–H Activation Promoted by Metal-Organic Cooperative Catalysis (MOCC): Enriching the MOCC Chemistry. J. Am. Chem. Soc. 2015, 137, 6279–6291. (SCI/一区,IF: 13.038) 3. Dang, Y.; Qu, S.; Nelson, J. W.; Pham, H. D.; Wang, Z.-X.; Wang, X., The Mechanism of a Ligand-Promoted C(sp3)–H Activation and Arylation Reaction via Palladium Catalysis: Theoretical Demonstration of a Pd(II)/Pd(IV) Redox Manifold. J. Am. Chem. Soc. 2015, 137, 2006–2014. (SCI/一区,IF: 13.038) 4. Dang, Y.; Qu, S.; Wang, Z.-X.; Wang, X., A Computational Mechanistic Study of an Unprecedented Heck-Type Relay Reaction: Insight into the Origins of Regio- and Enantioselectivities. J. Am. Chem. Soc. 2014, 136, 986–998. (SCI/一区,IF: 13.038) 5. Qu, S.; Dang, Y.; Song, C.; Wen, M.; Huang, K.-W.; Wang, Z.-X., Catalytic Mechanisms of Direct Pyrrole Synthesis via Dehydrogenative Coupling Mediated by PNP-Ir or PNN-Ru Pincer Complexes: Crucial Role of Proton-Transfer Shuttles in the PNP-Ir System. J. Am. Chem. Soc.2014, 136, 4974–4991. (SCI/一区,13.038) 6. Dang, Y.; Qu, S.; Tao, Y.; Song, C.; Wang, Z.-X., Mechanistic Origins of Chemo- and Regioselectivity of Ru(II)-Catalyzed Reactions Involving ortho-Alkenylarylacetylene, Alkyne, and Methanol: The Crucial Role of a Chameleon-like Intermediate. J. Org. Chem. 2014, 79, 9046–9064. (SCI/二区,IF: 4.785) 7. Dang, Y.; Qu, S.; Wang, Z.-X.; Wang, X., Mechanism and Origins of Z Selectivity of the Catalytic Hydroalkoxylation of Alkynes via Rhodium Vinylidene Complexes to Produce Enol Ethers. Organometallics 2013, 32, 2804–2813. (SCI/二区,IF: 4.186) 8. Dang, Y.; Wang, Z.-X.; Wang, X., Does the Ruthenium Nitrato Catalyst Work Differently in Z-Selective Olefin Metathesis? A DFT Study. Organometallics 2012, 31, 8654–8657. (SCI/二区,IF: 4.186) 9. Dang, Y.; Wang, Z.-X.; Wang, X., A Thorough DFT Study of the Mechanism of Homodimerization of Terminal Olefins through Metathesis with a Chelated Ruthenium Catalyst: from Initiation to Z-Selectivity to Regeneration. Organometallics 2012, 31, 7222?7234. (SCI/二区,IF: 4.186) 10. Deng X.;Dang, Y.; Wang, Z.-X.; Wang, X., How Does an Earth-Abundant Copper-Based Catalyst Achieve Anti-Markovnikov Hydrobromination of Alkynes? A DFT Mechanistic Study. Organometallics 2016, 35, 1923–1930. (SCI/二区,IF: 4.186) 11. Qu, S.; Dang, Y.; Song, C.; Wang, Z.-X., Depolymerization of Oxidized Lignin Catalyzed by Formic Acid Exploits an Unconventional Elimination Mechanism Involving 3c–4e Bonding: A DFT Mechanistic Study. ACS Catal. 2015, 5, 6386–6396. (SCI/二区,IF: 9.307) 12. Qu, S.; Dang, Y.; Wen, M.; Wang, Z.-X., Mechanism of the Methyltrioxorhenium- Catalyzed Deoxydehydration of Polyols: A New Pathway Revealed. Chem. –Eur. J. 2013, 19, 3827–3832. (SCI/二区,IF:5.731) 13. Song, C.; Dang, Y.; Tao, Y.; Wang, Z.-X., DFT Mechanistic Study of Functionalizations of ω-Ene-Cyclopropanes and Alkylidenecyclopropanes via Allylic C–H and C–C Bond Cleavage Facilitated by a Zirconocene Complex. Organometallics 2015, 34, 5233–5244. (SCI/二区,IF: 4.186) 14. Wei, Y.; Guo, R.; Dang, Y.; Nie, J.; Ma, J.-A., Organocatalytic Enantioselective Decarboxylative Michael Addition of β-Keto Acids to Dicyanoolefins and Disulfonylolefins. Adv. Synth. Catal. 2016, DOI:10.1002/adsc.201600485. (IF: 6.453) 15. Qu, S.; Dai, H.; Dang, Y.; Song, C.; Wang, Z.-X.; Guan, H. Computational Mechanistic Study of Fe-Catalyzed Hydrogenation of Esters to Alcohols: Improving Catalysis by Accelerating Pre-catalyst Activation with a Lewis Base, ACS Catal. 2014, 4, 4377–4388. (SCI/二区,IF: 9.307) 16. Nelson, J. W.; Grundy, L. M.; Dang, Y.; Wang, Z.-X.; Wang, X., Mechanism of Z-Selective Olefin Metathesis Catalyzed by a Ruthenium Monothiolate Carbene Complex: A DFT Study. Organometallics 2014, 33, 4290–4294. (SCI/二区,IF:4.186) 17. Song, C.; Qu, S.; Tao, Y.;Dang, Y.; Wang, Z.-X., DFT Mechanistic Study of RuII-Catalyzed Amide Synthesis from Alcohol and Nitrile Unveils a Different Mechanism for Borrowing Hydrogen. ACS Catal. 2014, 4, 2854–2865. (SCI/二区,IF: 9.307)
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