个人简历

2016年至今 南京工业大学，先进化学制造研究院，教授\r
2014-2016年 德国马尔堡菲利普大学， 化学系， 计算化学， 洪堡学者 (洪堡博士后) \r
2012-2014年 新加坡科技研究局(A*STAR)，高性能计算研究院(IHPC)，计算化学，科学家\r
2007-2012年 中国科学院研究生院，化学与化学工程学院，物理化学/计算化学，理学博士 \r
2003-2007年 河南大学，化学化工学院，化学，理学学士

研究领域

""1.理论计算从头设计催化剂: 用于小分子活化和非金属催化氢化反应。\r
2.研究与能源、环境友好相关的化学反应机理：包括有机催化,含过渡金属或不含过渡金属催化，生物质催化转化，生物酶催化转化，以及不含催化剂的化学反应等。\r
3.发展先自然轨道能量分解分析（EDA-NOCV）方法，探索新的化学成键规律。\r
4.模拟具有催化性能的混合金属氧化物（MMO）材料，设计新型材料分子。""""

近期论文

Tsz-Fai Leung, Dandan Jiang, Ming-Chun Wu, Dengmengfei Xiao, Wei-Min Ching, Glenn P. A. Yap, Tao Yang, Lili Zhao*, Tiow-Gan Ong*, and Gernot Frenking*. Isolable dicarbon stabilized by a single phosphine ligand. Nature Chemistry 2021, 13, 89-93.\r
\r
Mujahuddin M. Siddiqui, Samir Kumar Sarkar, Mohd Nazish, Massimiliano Morganti, Christian Köhler,Jiali Cai, Lili Zhao,* Regine Herbst-Irmer, Dietmar Stalke,* Gernot Frenking,* and Herbert W. Roesky*. Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones. J. Am. Chem. Soc. 2021, 143, 1301-1306.\r
\r
Changqu Lin, Chaoqun Chai, Yuanzhang Li, Jiao Chen, Yanyu Lu, Hongli Wu, Lili Zhao*b, Fei Cao *a, Kequan Chen, Ping Weia and Pingkai Ouyang. CaCl2 Molten Salt Hydrate-Promoted Conversion of Carbohydrates to 5-Hydroxymethylfurfural: An Experimental and Theoretical Study. Green Chem. 2021. 23, 2058-2068.\r
\r
Jindian Duan, Yiyang Mao, Anmei Xian, Binsen Rong,Gaochen Xu, Zhenjiang Li, Lili Zhao*b Ning Zhu*a and Kai Guo*a. Copper-catalyzed regioselective [3 + 2] annulation of malonate-tethered acyl oximes with isatins. Chem. Commun. 2021. 57, 3379-3382.\r
\r
Guohai Deng, Sudip Pan, Xuelin Dong, Guanjun Wang, Lili Zhao, Mingfei Zhou,*[a] and Gernot Frenking*[b, c]. CO-Induced Dinitrogen Fixation and Cleavage Mediated by Boron. Chem -Eur J. 2021, 27, 2131-2137.\r
\r
Jiaxi Xu, Anmei Xian, Zhenjiang Li, Jingjing Liu, Zhihao Zhang, Rui Yan, Luoyu Gao, Bo Liu, Lili Zhao, and Kai Guo*. A Strained Ion Pair Permits Carbon Dioxide Fixation at Atmospheric Pressure by C–H H-Bonding Organocatalysis. J. Org. Chem. 2021. 86, 3422-3432.\r
\r
Dandan Jiang, Xiaojun Li, Jiali Cai, Yuna Bai, Lixiong Zhang and Lili Zhao*a. Mechanistic study of the cooperative palladium/Lewis acid-catalyzed transfer hydrocyanation reaction: the origin of the regioselectivity. Dalton Trans. 2021, 50, 1233-1238.\r
\r
Yi-Chen Chan, Yuna Bai, Wen-Ching Chen, Hsing-Yin Chen, Chen-Yu Li, Ying-Yann Wu, Mei-Chun Tseng, Glenn P. A. Yap, Lili Zhao, Hsuan-Ying Chen, and Tiow-Gan Ong, Synergistic Catalysis by Brønsted Acid/Carbodicarbene Mimicking Frustrated Lewis Pair-Like Reactivity. Angew. Chem., Int. Ed. 2021,60, 19949-19956.\r
\r
Xianlu Cui, Chengxiang Ding, Congcong Zhang, Zixian Jiao, Lixiong Zhang, Xuefei Zhao, and Lili Zhao, Computational Mechanistic Study of Brønsted Acid-Catalyzed Unsymmetrical 1,2,4,5-Tetrazines Synthesis. J. Phys. Chem. A , 2021, 125, 4715–4726.\r
\r
Xianlu Cui, Qianqian Li, Lei Yao, Yanshun Ma, Lixiong Zhang, Chuanbao Zhang, and Lili Zhao, Mechanistic Study of the N-Quaternized Pyridoxal-Catalyzed Biomimetic Asymmetric Mannich Reaction: Insights into the Origins of Enantioselectivity and Diastereoselectivity, J. Org. Chem. 2021, 86, 6592–6599\r
\r
Wei Fang, Sudip Pan, Wei Su, Shuao Wang, Lili Zhao, Gernot Frenking, and Congqing Zhu, Complex Featuring Two Double Dative Bonds Between Carbon(0) and Uranium, CCS Chemistry , 2021, 1-20.\r
\r
Gernot Frenking, Xiaoyang Jin, Yangyu Zhou, Guanjun Wang, Yuna Bai, Lili Zhao, and Mingfei Zhou, Highly Coordinated Heteronuclear Calcium-Iron Carbonyl Cation Complexes [CaFe(CO)n]+ (n = 5 - 12) with d-d Bonding, Angew. Chem., Int. Ed. 2021, 60, 13865-13870.\r
\r
Wei He, Congcong Zhang, Wenyan Zhang, Yuchen Zhu, Zheng Fang, Lili Zhao, and Kai Guo, The integration of catalyst design and process intensification in the efficient synthesis of 5-hydroxymethyl-2-furancarboxylic acid from fructose, Chemical Engineering Science. 2021,245,116858.\r
\r
Ran Li, Lei Yao, Yan-Bo Wang, Jun-Yan Zhu, Lixiong Zhang, Ji-Ya Fu, Chuan-Bao Zhang, and Lili Zhao, Divergent Metal-Free [4 + 2] Cascade Reaction of 1-Indanylidenemalononitrile with 3-Benzylidenebenzofuran-2(3H)-one: Access to Spiro-dihydrofluorene-benzofuranone and Axially Chiral Fluorenylamine-phenol Derivatives, Org. Lett. 2021, 23, 5611–5615.\r
\r
Jian Liu, Melissa M. Bollmeyer, Yujeong Kim, Dengmengfei Xiao, Samantha N. MacMillan, Qi Chen, Xuebing Leng, Sun Hee Kim, Lili Zhao, Kyle M. Lancaster, and Liang Deng, An Isolable Mononuclear Palladium(I) Amido Complex, J. Am. Chem. Soc. 2021, 143, 10751–10759.\r
\r
Tiow-Gan Ong, Yi-Chen Chan, Yuna Bai, Wen-Ching Chen, Hsing-Yin Chen, Chen-Yu Li, Ying-Yann Wu, Mei-Chun Tseng, Glenn P. A. Yap, Lili Zhao, and Hsuan-Yin Chen, Synergistic Catalysis via Brønsted Acid Modulated Frustrated Lewis Pair-Like Reaction in Carbodicarbene, Angew. Chem., Int. Ed. 2021, 60, 19949-19956.\r
\r
Sudip Pan, Lili Zhao, and Gernot Frenking, Bonding in M(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, Cd, Hg; NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation state, Theor. Chem. Acc. 2021,140 ,69.\r
\r
Wei Su, Yanshun Ma, Libo Xiang, Junyi Wang, Shuao Wang, Lili Zhao, Gernot Frenking, and Qing Ye, Isolation of a Uranium(III)-Carbon Multiple Bond Complex. Chem. Eur. J. 2021,27, 10006-10011.\r
\r
Yajun Zhang, Dandan Jiang, Zheng Fang, Ning Zhu, Naixian Sun, Wei He, Chengkou Liu, Lili Zhao, and Kai Guo, Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications. Chem. Sci.. 2021,12, 9432-9441.\r
\r
Lili Zhao, Minna Zhi, and Gernot Frenking, The strength of a chemical bond. t. J. Quantum Chem. 2021. DOI: doi.org/10.1002/qua.26773