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李春森,研究员,博士生导师。于2001年、2004年、2007年在厦门大学化学化工学院分别获理学学士、物理化学硕士和物理化学博士学位(导师:吴玮教授)。2008年起先后在德国马普学会煤研究所(合作导师:Prof. Walter Thiel)和以色列希伯来大学(合作导师:Prof. Sason Shaik)从事博士后研究,2013年10月作为中国科学院海西研究院百人计划引进人才任福建物质结构研究所研究员、课题组长,2015年入选中国科学院“百人计划”。承担了国家自然科学基金面上项目、中国科学院战略性科技先导专项子课题,福建省自然科学基金面上项目、2015年度留学人员科技活动择优基金等多项研究课题。重点开展生物酶及人工合成催化剂的多尺度理论化学研究,复杂体系化学反应性的理论计算化学模拟。研究成果发表于Angew. Chem. Int. Ed.、J. Am. Chem. Soc.、Acc. Chem. Res.、Chem. Sci.、Chem. Soc. Rev.、ACS Catal. 等国际刊物上。研究领域:
生物酶体系的理论化学研究、功能材料的理论化学模拟、化学反应中的价键理论模拟以及其它复杂化学体系的理论化学研究。
研究成果
1. Liao. Y.; Lu, Q. Q.; Chen, G.; Yu, Y. H.; Li, C. S.*; Huang, X. L.* "Rhodium-Catalyzed Azide-Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-triazoles under Mild Conditions" ACS Catal. 2017. DOI: 10.1021/acscatal.7b02558
2. Zhang, M. Y.; Song, J. S.; Lu, Q. Q.; Wei, J.; Wu, P.; Li, C. S.* "Beryllium and Boron decoration form planar tetracoordinate carbon strips at the edge of BCN nanoribbons result in energy gap opposite variation and third-order nonlinear optical response improvement", Chem. Phys. Lett. 2017, 685, 432-437. DOI: 10.1016/j.cplett.2017.07.072
3. Ye, L. T.; Pan C. C.; Zhang, M. Y.; Li, C. S.; Chen, F. L.; Gan, L. Z.*; Xie, K.* "Highly efficient CO2 electrolysis on cathodes with exsolved alkaline earth oxide nanostructures", ACS Appl. Mater. Interfaces 2017, 9(30), 25350-25357. DOI: 10.1021/acsami.7b07039
4. Dai, W.*; Shang, S. S.; Lv, Y.; Li, G. S.; Li, C. S.*; Gao, S.* "Highly Chemoselective and Enantioselective Catalytic Oxidation of Heteroaromatic Sulfides via High-Valent Manganese(IV)-Oxo Cation Radical Oxidizing Intermediates", ACS Catal. 2017, 7, 4890-4895. DOI: 10.1021/acscatal.7b00968
5. Ye, L. T.; Zhang, M. Y.; Huang, P.; Guo, G. C.; Hong, M. C.; Li, C. S.*; Irvine, J. T. S.*; Xie, K.* "Enhancing CO2 electrolysis through synergistic control of non-stoichiometry and doping to tune cathode surface structures", Nature Communications 2017, 8, 14785. DOI: 10.1038/ncomms14785
6. Huang, J.; Li, C. S.*; Wang, B. J.; Sharon, D. A.; Wu, W.*; Shaik, S.* "Selective Chlorination of Substrates by Halogenase SyrB2 is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study", ACS Catal. 2016, 6, 2694-2704. DOI: 10.1021/acscatal.5b02825 (http://www.x-mol.com/news/2586)
7. Chen, G.; Song, J. S.; Yu, Y. H.; Luo, X. S.; Li, C. S.*; Huang, X. L.* "Aminofluorination: transition-metal-free N-F bond insertion of diazocarbonyl compounds", Chem. Sci. 2016, 7, 1786-1790. DOI: 10.1039/C5SC04237B
8. Wang, B. J.; Li, C. S.; Dubey, K. D.; Shaik, S.* "Quantum Mechanical/Molecular Mechanical Calculated Reactivity Networks Reveal How Cytochrome P450cam and Its T252A Mutant Select Their Oxidation Pathways", J. Am. Chem. Soc. 2015, 137, 7379-7390. DOI: 10.1021/jacs.5b02800
9. Wang, Y.; Song, J. S.; Ma, X.; Xue, Z. Z.; Hu S. M.; Fu, R. B.; Li, C. S.*; Sheng, T. L.*; Wu, X. T. "Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2(M=Ru, Os)", RSC Adv. 2015, 5, 3399-3407. DOI: 10.1039/C4RA13825B
10. Wang, B. J.; Usharani, D.; Li, C. S.; Shaik, S.* "Theory Uncovers an Unusual Mechanism of DNA Repair of a Lesioned Adenine by AlkB Enzymes", J. Am. Chem. Soc. 2014, 136, 13895-13901. DOI:10.1021/ja507934g
11. Usharani, D.; Lai, W. Z.; Li, C. S.; Chen, H.; Danovich, D.; Shaik, S.* "A tutorial for understanding chemical reactivity through the valence bond approach", Chem. Soc. Rev. 2014, 43, 4968-4988. DOI: 10.1039/c4cs00043a
12. Kim, Y. M.; Cho, K.-B.; Cho, J.; Wang, B.; Li, C. S.; Shaik, S.*; Nam, W.* "A Mononuclear Nonheme High-Spin Iron(III)-Hydroperoxo Complex as an Active Oxidant in Sulfoxidation Reaction", J. Am. Chem. Soc. 2013, 135, 8838-8841. DOI: 10.1021/ja404152q
13. Wang, B.; Li, C. S.; Cho, K.-B.; Nam, W.*; Shaik, S.* "The FeIII(H2O2) Complex as a Highly Efficient Oxidant in Sulfoxidation Reactions: Revival of an Underrated Oxidant in Cytochrome P450", J. Chem. Theory Comput. 2013, 9, 2519-2525. DOI: 10.1021/ct400190f
14. Usharani, D.; Janardanan, D.; Li, C. S.; Shaik, S.* "A Theory for Bioinorganic Chemical Reactivity of Oxometal Complexes and Analogous Oxidants: The Exchange and Orbital-Selection Rules", Acc. Chem. Res. 2013, 46, 471-482. DOI: 10.1021/ar300204y
15. Li, C. S.; Shaik, S.* "How Do Perfluorinated Alkanoic Acids Elicit Cytochrome P450 to Catalyze Methane Hydroxylation? An MD and QM/MM Study", RSC Adv. 2013, 3, 2995-3005. DOI: 10.1039/c2ra22294a
16. Lai, W. Z.+; Li, C. S.+; Chen, H.; Shaik, S.* "Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way", Angew. Chem. Int. Ed. 2012, 51, 5556-5578. DOI: 10.1002/anie.201108398
17. Li, C. S.; Danovich, D.; Shaik, S.* "Blended Hydrogen Atom Abstraction and Proton-Coupled Electron Transfer Mechanisms of Closed-Shell Molecules", Chem. Sci. 2012, 3, 1903-1918. DOI: 10.1039/c2sc20115a
18. Li, C. S.; Wu, W.*; Cho, K.-B.; Shaik, S.* "Oxidation of Tertiary Amines by Cytochrome P450-Kinetic Isotope Effect as a Spin-State Reactivity Probe", Chem. Eur. J. 2009, 15, 8492-8503. DOI: 10.1002/chem.200802215
19. Li, C. S.; Zhang, L. X.; Zhang, C.; Hirao, H.; Wu, W.*; Shaik, S.* "Which Oxidant Is Really Responsible for Sulfur Oxidation by Cytochrome P450?", Angew. Chem. Int. Ed. 2007, 46, 8168-8170. DOI: 10.1002/anie.200702867
20. Li, C. S.; Wu, W.*; Kumar, D.; Shaik, S.* "Kinetic Isotope Effect Is a Sensitive Probe of Spin State Reactivity in C-H Hydroxylation of N,N-Dimethylaniline by Cytochrome P450", J. Am. Chem. Soc. 2006, 128, 394-395. DOI: 10.1021/ja055987p
21. Zhu, C.; Li, C. S.; Tan, K.; Lin, M. H.*; Zhang, Q. E. "Density Functional Theory Study of The Clusters: TixNy", Acta Chimica Sinica 2005, 63(19), 1807-1812.
22. Li, C. S.; Cao, Z. X.; Wu, W.*; Lin, M. H.; Zhang, Q. E. "DFT studies on the Pdn (n=2-13) clusters", Chemical Journal of Chinese Universities-Chinese 2005, 26(1), 116-120.
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