1997/09－2001/07，南京大学，化学，学士 2001/09－2006/06，南京大学，物理化学，博士，导师：黎书华教授 2006/09－2011/03，以色列耶路撒冷希伯莱大学，化学研究所，博士后，合作教授：Sason Shaik 2011/04－至今，中国科学院化学研究所光化学院重点实验室，研究员，博士生导师

（1）过渡金属开壳层复杂电子结构的研究和解析 （2）过渡金属催化有机反应机理的计算化学研究 （3）含过渡金属的酶催化反应机理理论计算研究 （4）高精度ab initio计算对过渡金属催化有机反应的密度泛函标定研究

Lu, J.; Lai, W.; Chen, H.* "C(sp3)-H Hydroxylation in Diiron β-Hydroxylase CmlA Transpires by Amine-Assisted O2 Activation Avoiding FeIV2O2 Species" Angew. Chem. Int. Ed. 2022, 61, e202211843. Wang, S.; Ma, P.; Shaik, S.; Chen, H.* "Valence-Inverted States of Nickel(II) Complexes Perform Facile C-H Bond Activation" J. Am. Chem. Soc. 2022, 144, 14607. Mou, L.-H.; Li, Y.; Wei, G.-P.; Li, Z.-Y.*; Liu, Q.-Y.; Chen, H.*; He, S.-G.* "Mutual functionalization of dinitrogen and methane mediated by heteronuclear metal cluster anions CoTaC2−" Chem. Soc. 2022, 13, 9366. Li, F.; Long, L.; He, Y.-M.; Li, Z.; Chen, H.*; Fan, Q.-H.* "Manganese-Catalyzed Asymmetric Formal Hydroamination of Allylic Alcohols: A Remarkable Macrocyclic Ligand Effect" Angew. Chem. Int. Ed. 2022, 61, e202202972. Zhang, Y.; Zhao, J.; Yang, D.; Wang, B.; Zhou, Y.; Wang, J.; Chen, H.; Mei, T.; Ye, S.*; Qu, J.* "A thiolate-bridged FeIVFeIV μ-nitrido complex and its hydrogenation reactivity toward ammonia formation" Nat. Chem. 2022, 14, 46. Mou, L.-H.; Li, Y.; Li, Z.-Y.*; Liu, Q.-Y.; Chen, H.*; He, S.-G.* "Dinitrogen Activation by Heteronuclear Metal Carbide Cluster Anions FeTaC2–: A 5d Early and 3d Late Transition Metal Strategy" J. Am. Chem. Soc. 2021, 143, 19224. Liu, Q.; Long, L.; Ma, P.; Ma, Y.; Leng, X.; Xiao, J.; Chen, H.*; Deng, L.* "Synthesis, structure, and C–H bond activation reaction of an iron(IV) terminal imido complex bearing trifluoromethyl groups" Cell Rep. Phys. Sci. 2021, 2, 100454. Ao,Y.-F.*; Hu, H.-J.; Zhao, C.-X.; Chen, P.; Huang, T.; Chen, H.*; Wang, Q.-Q.; Wang, D.-X.; Wang, M.-X. "Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase" ACS Catal. 2021, 11, 6900. Zhao, C.; Li, Y.; Wang, C.; Chen, H.* "Mechanistic Dichotomy in the Activation of SAM by Radical SAM Enzymes: QM/MM Modeling Deciphers the Determinant" ACS Catal. 2020, 10, 13245. Li, Z-Y.; Li, Y.; Mou L.-H.; Chen, J.-J.; Liu, Q.-Y.; He, S.-G.*; Chen, H.* "A Facile N≡N Bond Cleavage by the Trinuclear Metal Center in Vanadium Carbide Cluster Anions V3C4−" J. Am. Chem. Soc. 2020, 142, 10747. Zhao, B.; Shang, R.*; Wang, G.; Wang, S.; Chen, H.*; Fu, Y.* "Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species" ACS Catal. 2020, 10, 1334. Ma, P.; Wang, S.; Chen, H.* "Reactivity of Transition Metal Complexes in Excited States: C−O Bond Coupling Reductive Elimination of a Ni(II) Complex Is Elicited by the Metal-to-Ligand Charge Transfer State" ACS Catal. 2020, 10, 1. Mou, L.-H.; Li, Y.; Li, Z.-Y.*; Liu, Q.-Y.; Ren, Y.; Chen, H.*; He, S.-G.* "Dinitrogen Activation and Functionalization by Heteronuclear Metal Cluster Anions FeV2C2− at Room Temperature" J. Phys. Chem. Lett. 2020, 11, 9990. Jiang, H.; Lai, W.; Chen, H.* "How Is Carbon Radical Generated from Iron-Hydride and Alkene? Regulating the Reactivity by Iron Oxidation and Spin States" ACS Catal. 2019, 9, 6080. Wang, C.; Danovich, D.; Chen, H.*; Shaik, S.* "Oriented External Electric Fields – Tweezers and Catalysts for Reactivity in Halogen-Bond Complexes" J. Am. Chem. Soc. 2019, 141, 7122. Ma,P. C.; Chen, H.* "Ligand-Dependent Multi-State Reactivity in Cobalt(III)-Catalyzed C-H Activations" ACS Catal. 2019, 9, 1962. Lu, J.; Bi, B.; Lai. W.*; Chen, H.* "Origin of Nitric Oxide Reduction Activity in Flavo-Diiron NO Reductase: Key Roles of Second Coordination Sphere" Angew. Chem. Int. Ed. 2019, 58, 3795. Han, B.; Ma, P. C.; Chen, H.*; Zeng, X. M.* "Chromium- and Cobalt-Catalyzed, Regiocontrolled Hydrogenation of Polycyclic Aromatic Hydrocarbons: A Combined Experimental and Theoretical Study" J. Am. Chem. Soc. 2019, 141, 9018. Su, X.; Chen, B.; Wang, S.; Chen, H.; Chen, C.*"Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6" ACS Catal. 2018, 8, 7760. Hu, Y.; Zhou, B.; Chen, H.*; Wang, C.* "Manganese-Catalyzed Redox-Neutral C-H Olefination of Ketones with Unactivated Alkenes" Angew. Chem. Int. Ed. 2018, 57, 12071. Hu,L. R.; Chen, H.* "Comparative computational study on C-C/C-N/C-Br bond formations in Rh(III)-catalyzed C-H functionalizations: stepwise versus concerted mechanisms"J. Organomet. Chem. 2018, 864, 105.