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1.手性药物和生理活性化合物的高效高选择性合成研究；
2.过渡金属催化的偶联反应以及有机小分子催化的反应机理；
3.通过理论计算设计新型催化剂、配体；

1. “Mechanism of Rhodium-Catalyzed Carbon−Silicon Bond Cleavage for the Synthesis of Benzosilole Derivatives: A Computational Study,” Yu, Z.; Lan, Y.* J. Org. Chem. 2013, 78, 11501−11507.
2.“Mechanism, Chemoselectivity and Enantioselectivity for the Rhodium-catalyzed Desymmetric Synthesis of Hydrobenzofurans: A Theoretical Study,” Yu, Z.; Qi, X.; Li, Y.; Liu, S.; Lan, Y.* Org. Chem. Front. 2016, 3, 209−216.
3.“Toward a Predictive Understanding of Phosphine-Catalyzed [3+2] Annulation of Allenoates with Acrylate or Imine,” Yu, Z.; Jin, Z.; Duan, M.; Bai, R.;* Lu, Y.;* Lan, Y.* J. Org. Chem. 2018, 83, 9729−9740.
4.“Probing Enantioselectivity in Rhodium-Catalyzed SiC Bond Cleavage to Construct Silicon-Stereocenter: A Theoretical Study,” Yu, Z.;‡ Zhang, T.;‡ Bai, R.; Lan, Y.* Catal. Sci. Technol. 2019. 9, 646−651.
5.“Hydroalkynylation of Enamides Using Iridium or Rhodium Complexes: DFT Study on the Mechanism and Regioselectivity,” Yu, Z.; Meng, L.; Lin, Z.* Organometallics 2019. 38, 2998−3006.
6.“Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines,” Rong, Z.-Q.;* Yu, Z.; Weng, C.; Yang, L.-C.; Lu, S.; Lan, Y.;* Zhao, Y.* ACS Catal. 2020, 10, 9464−9475.
7.“Understanding the Reaction Mechanism of Gold-Catalyzed Reaction of 2,1-benzisoxazoles with Propiolates and Ynamides,” Yu, Z.;‡ Shujuan Lin,;‡ Lin, Z.* Org. Chem. Front. 2021, 8, 3342−3353.
8.“Asymmetric Construction of Tertiary/Secondary Carbon-Phosphorus Bonds via Bifunctional Phosphonium Salt-catalyzed 1, 6-Addition,” Chen, Y.;‡ Yu, Z.;‡ Jiang, Z.; Tan, J.-P.; Wu, J.-H.; Lan, Y.;* Ren, X.;* Wang, T.* ACS Catal. 2021, 11, 14168−14180.
9.“Chemoselective Carbophilic Addition of α-Diazoesters through Ligand-Controlled Gold Catalysis,” Xi, Y.; Su, Y.; Yu, Z.; Dong, B.; McClain, E. J.; Lan, Y.;* Shi, X.* Angew. Chem. Int. Ed. 2014, 53, 9817−9821.
10.“What Controls Stereoselectivity and Reactivity in the Synthesis of a trans-Decalin with a Quaternary Chiral Center via the Intramolecular Pauson−Khand Reaction: A Theoretical Study,” Liu, S.; Shen, H.; Yu, Z.; Shi, L.; Yang, Z.;* Lan, Y.* Organometallics 2014, 33, 6282−6285.
11.“Highly Enantioselective Construction of Tertiary Thioethers and Alcohols via Phosphine-catalyzed Asymmetric γ-Addition Reactions of 5H-Thiazol-4-Ones and 5H-Oxazol-4-Ones: Scope and Mechanistic Understanding,” Wang, T.; Yu, Z.; Hoon, D. L.; Huang, K.-W.; Lan, Y.;* Lu, Y.* Chem. Sci. 2015, 6, 4912−4922.
12.“Regiodivergent Enantioselective γ-Additions of Oxazolones to 2,3-Butadienoates Catalyzed by Phosphines: Synthesis of α,α-Disubstituted α-Amino Acids and N,O-Acetal Derivatives,” Wang, T.; Yu, Z.; Hoon, D. L.; Phee, C. Y.; Lan, Y.;* Lu, Y.* J. Am. Chem. Soc. 2016, 138, 265−271.
13.“Asymmetric Transfer Hydrogenation of Imines using Alcohol: Efficiency and Selectivity are Influenced by the Hydrogen Donor,” Pan, H.-J.; Zhang, Y.; Shan, C.; Yu, Z.; Lan, Y.;* Zhao, Y.* Angew. Chem. Int. Ed. 2016, 55, 9615−9619.
14.“Regioselective α-Addition of Deconjugated Butenolides:Enantioselective Synthesis of Dihydrocoumarins,” Wu, B.; Yu, Z.; Gao, X.; Lan, Y.;* Zhou, Y.-G.* Angew. Chem. Int. Ed. 2017, 56, 4006−4010.
15.“Chiral Phosphine-mediated Intramolecular [3+2] Annulation: Enhanced Enantioselectivity by Achiral Brønsted Acid,” Yao, W.; Yu, Z.; Wen, S.; Ni, H.; Ullah, N.;* Lan, Y.;* Lu, Y.* Chem. Sci. 2017, 8, 5196−5200.
16.“Catalyst-controlled Regioselectivity in Phosphine Catalysis: the Synthesis of Spirocyclic Benzofuranones via Regiodivergent [3+2] Annulations of Aurones and an Allenoate,” Ni, H.; Yu, Z.; Yao, W.; Lan, Y.;* Ullah, N.;* Lu, Y.* Chem. Sci. 2017, 8, 5699−5704.
17.“Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation” Rong, Z.-Q.; Yang, L.-C.; Liu, S.; Yu, Z.; Wang, Y.-N.; Tan, Z. Y.; Huang, R.-Z.; Lan, Y.;* Zhao, Y.* J. Am. Chem. Soc. 2017, 139, 15304−15307.
18.“Thiolate–palladium(IV) or Sulfonium–palladate(0)? A Theoretical Study on the Mechanism of Palladium-catalyzed C–S Bond Formation Reactions,” Xu, D.; Qi, X.; Duan, M.; Yu, Z.; Zhu, L.; Shan, C.; Yue, X.; Bai, R.;* Lan, Y.* Org. Chem. Front. 2017, 4, 943−950.
19.“From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3 + 2] Cycloaddition,” Duan, M.; Zhu, L.; Qi, X.; Yu, Z.; Li, Y.; Bai, R.; Lan, Y.* Sci. Rep. 2017, 7, 7619−7631.

国家自然科学基金青年科学基金项目：基于单电子转移的NHC催化构建碳碳键的机理研究（2023.01-2025.12）