教授，博士研究生导师，岳麓****
E-mail: squ@hnu.edu.cn










基本信息


瞿双林，男，湖南邵阳人。湖南大学化学化工学院教授，博士研究生导师，岳麓****。
课题组主要研究方向是物理有机化学、计算化学和有机金属催化。课题组将与本单位的实验课题组紧密合作，培养既懂实验又懂理论计算的研究生。
本课题组正在招聘讲师（湖大编制）和博士后，每年招收博士及硕士研究生若干名 （化学及计算机科学相关背景均可），随时欢迎本科生入组学习。
热忱欢迎对物理有机化学、计算化学和催化化学感兴趣的青年才俊加盟！
教育背景
2010.09 ~ 2015.07 物理化学，理学博士，中国科学院大学，化学与化学工程学院，导师：汪志祥教授
2006.09 ~ 2010.07 应用化学，工学学士，湖南师范大学，化学化工学院

工作履历
2018.11 ~ 至今 湖南大学化学化工学院，教授，博士研究生导师

2015.08 ~ 2018.11 美国明尼苏达大学化学学院，博士后，合作导师: Prof. Christopher Cramer

学术兼职
担任期刊 Frontiers in Chemistry 的客座编辑，负责编辑研究专题 "Computational Chemistry in Homogeneous Catalysis"
担任化学领域国际核心期刊 (Journal of the American Chemical Society (JACS), ACS Catalysis, Journal of Organic Chemistry, Inorganic Chemistry 和 European Journal of Organic Chemistry 等) 的审稿人

研究领域
物理有机化学/催化化学/计算化学/高分子功能材料

理论计算和实验研究相结合研究复杂化学问题。运用理论计算化学工具研究有机催化反应的机理，深入理解和解释所得实验结果，为进一步优化实验条件和发展新催化剂提供理论依据和思路；通过实验研究为理论计算明确实验上的难点和关键，校正理论计算结果，验证（或推翻）理论预测；研究过程中不断调整实验和理论计算的研究方向。遵循 “解释→预测→设计→验证” 的研究道路，发现和构思新的催化策略和催化思想，设计和发展新的催化剂和催化反应。研究兴趣主要集中在（但不限于）如下领域 ：
1. 金属有机催化反应选择性的影响因素及调控方法的研究，如脱氢偶联反应，脱氧脱水反应，加氢反应，烯烃/炔烃复分解反应，聚合反应等；
2. 过渡金属 (尤其是便宜过渡金属Fe, Co, Ni, Zn等)催化的C-H 键的活化和C-X键的偶联；
3. 过渡金属催化的小分子活化，比如CO₂的还原，H₂，N₂和CH₄的活化；
4. 高分子功能材料及其应用。



科研项目
1. 湖南大学高层次人才启动经费，100万元，主持。

2. 国家自然科学基金：基于金属卡宾的氮气活化与转化的均相催化反应的理论计算研究（**），26万元，主持。
学术成果
[22]Ji, Y-X.^#; Li, J.^#; Li, C-M.; Qu, S.^*; Zhang, B^*."Manganese-Catalyzed N?F Bond Activation for Hydroamination and Carboamination of Alkenes"Org. Lett.2020, DOI:10.1021/acs.orglett.0c03916 (Ji and Li contributed equally)
[21]Cheng, H.-G.; Yang, Z.; Chen, R.; Cao, L.; Wei, Q.; Tong, W.-Y.; Wang, Q.; Wu, C.; Qu, S.*;Zhou, Q.*,"A Concise Total Synthesis of (–)-Berkelic Acid" Angew. Chem. Int. Ed.2020,DOI: 10.1002/anie.
[20] Liu, R.-Z.; Li, J.; Sun, J.; Liu, X.-G.;Qu, S.^*; Li, P.^*; Zhang, B^*."Generation and Reactivity of Amidyl Radicals: Manganese-Mediated Atom-Transfer Reaction" Angew. Chem. Int. Ed. 2020, 59, 4428-4433. DOI: 10.1002/anie.

[19] Li, J.; Qu, S.; Zhao, W^*."Rhodium-Catalyzed Remote C(sp3)?H Borylation of Silyl Enol Ethers" Angew. Chem. Int. Ed. 2020, 59, 2360-2364. DOI: 10.1002/ange.
[18]Lu, C.; Zhang, C.; Wang, P.; Zhao, Y.; Yang, Y.; Wang, Y.; Yuan, H.; Qu, S.; Zhang, X.; Song, G.; Pu, K., "Light-free Generation of Singlet Oxygen through Manganese-Thiophene Nanosystems for pH-Responsive Chemiluminescence Imaging and Tumor Therapy" Chem. 2020, 6, 2314-2334.
---------2018年之前----------
[17] Qu, S.^*; Cramer, C. J. "Mechanistic Study of Cp*Co^III/Rh^III-catalyzed Directed C-H Functionalization with Diazo Compounds" J. Org. Chem. 2017, 82, 1195-1204.DOI: 10.1021/acs.joc.6b02962 （ESI 高被引论文）
[16] Ono, T.; Qu, S.; Johnson, M.; Cramer, C. J.^*; Llobet, A^*. "Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects" ACS Catal.2017. DOI: 10.1021/acscatal.7b00603 (共同一作)
[15] 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. DOI: 10.1021/ja411568a
[14] Ye, F.; Qu, S.; Zhou, L.; Peng, C.; Wang, C.; Cheng, J.; Hossain, M. L.; Liu, Y.; Zhang, Y.; Wang, Z.-X.^*; Wang, J^*. "Palladium-Catalyzed C–H Functionalization of Acyldiazomethane and Tandem Cross-Coupling Reactions" J. Am. Chem. Soc. 2015, 137, 4435-4444.DOI: 10.1021/ja513275c (共同一作)
[13] Xia, Y. ; Qu, S.; Xiao, Q. ; Wang, Z.-X.^*; Qu, P.; Chen, L.; Liu, Z.; Tian, L.; Huang, Z.; Zhang, Y.; Wang, J^*. "Palladium-Catalyzed Carbene Migratory Insertion Using Conjugated Ene-Yne-Ketones as Carbene Precursors" J. Am. Chem. Soc. 2013, 135, 13502-13511.DOI: 10.1021/ja** (共同一作)
[12] Qu, S.; Dang, Y.; Song, C.; Guo, J.; 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. DOI: 10.1021/acscatal.5b01095
[11] 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. DOI: 10.1021/cs501089h
[10] 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.DOI: 10.1002/chem.
[9] Lu, Y.; Liu, Z.; Guo, J.; Qu, S.; Zhao, R.; Wang, Z.-X^*. "A DFT Study Unveils the Secret of How H₂ is Activated in the N-formylation of Amines with CO₂ and H₂Catalyzed by Ru (II) Pincer Complexes in the Absence of Exogenous Additives" Chem. Commun. 2017, 53, 12148-12151. DOI: 10.1039/C7CC06795J
[8] Guo, J.; Deng, X.; Song, C.; Lu, Y.; Qu, S.; Dang, Y.; Wang, Z.-X^*. "Differences Between the Elimination of Early and Late Transition Metals: DFT Mechanistic Insights into the Titanium-Catalyzed Synthesis of Pyrroles from Alkynes and Diazenes" Chem. Sci. 2017, 8, 2413- 2425.DOI: 10.1039/C6SC04456E
[7] 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.DOI: 10.1021/jacs.5b01502
[6] 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. DOI: 10.1021/ja512374g
[5] 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. DOI: 10.1021/ja410118m
[4] 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. DOI: 10.1021/jo501399x
[3] Song, C.; Qu, S.; Tao, Y.; Dang, Y.; Wang, Z.-X^*. "DFT Mechanistic Study of Ru^II-Catalyzed Amide Synthesis from Alcohol and Nitrile Unveils a Different Mechanism for Borrowing Hydrogen" ACS Catal. 2014, 4, 2854-2865. DOI: 10.1021/cs**
[2] Chen, T.; Li, H.; Qu, S.; Zheng, B.; He, L.; Lai, Z.; Wang, Z.-X.^*; Huang, K.-W^*. "Hydrogenation of Esters Catalyzed by Ruthenium PN3-Pincer Complexes Containing an Aminophosphine Arm" Organometallics 2014, 33, 4152-4155. DOI: 10.1021/om500549t
[1] 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. DOI: 10.1021/om400227u