BAI Ruopeng
Ph. D.
Associate Professor
ORCID: 0000-0002-1097-8526
Work Experience:
2016.09-, AssistantProfessor, College of Chemistry and Chemical Engineering, Chongqing University
Education:
2011.09-2016.06, Ph. D., College of Chemistry and Molecular Science, Wuhan University, Supervisor: Prof. Aiwen Lei
2007.09-2011.06, B.Sc., Department of Chemistry, University of Science and Technology of China
Publications:
Ø2020
“Nucleophilicity versus Brønsted basicity controlled chemoselectivity: mechanistic insight into silver- or scandium-catalyzed diazo functionalization” Liu, Fenru; Zhu, Lei; Zhang, Tao; Zhong, Kangbao; Xiong, Qin; Shen, Boming; Liu, Shihan; Lan, Yu*;Bai, Ruopeng*,ACS Catalysis2020,10, 1256–1263.
“Layered Chirality Relay Model in Rh(I)-Mediated Enantioselective C–Si Bond Activation: A Theoretical Study.” Liu, Shihan; Zhang, Tao; Zhu, Lei; Liu, Fenru;Bai, Ruopeng*; Lan, Yu*,Organic Letters,2020,22, 2124-2128.
“Reaction scope and mechanistic insights of nickel-catalyzed migratory Suzuki–Miyaura cross-coupling.” Li, Yuqiang; Luo, Yixin; Peng, Long; Li, Yangyang; Zhao, Binzhi; Wang, Wang; Pang, Hailiang; Deng, Yi;Bai, Ruopeng; Lan, Yu*; Yin, Guoyin*,Nature Communications2020,11, 417.
“σ-Bond Migration Assisted Decarboxylative Activation of Vinylene Carbonate in Rh-Catalyzed 4 + 2 Annulation: A Theoretical Study.” Shen, Boming; Liu, Song; Zhu, Lei; Zhong, Kangbao; Liu, Fenru; Chen, Haohua;Bai, Ruopeng*; Lan, Yu*, Organometallics.2020, 39, 2813-2819.
“Enhanced Transformation of Emerging Contaminants by Permanganate in the Presence of Redox Mediators.” Shi, Zhenyu; Jin, Can;Bai, Ruopeng; Gao, Zhanqi; Zhang, Jing*; Zhu, Liang; Zhao, Zhiwei*; Strathmann, Timothy J.,Environmental Science & Technology.2020,54, 1909-1919.
Ø2019
“Theoretical Study of the Addition of Cu–carbenes to Acetylenes to Form Chiral Allenes.” Zhong, Kangbao; Shan, Chunhui; Zhu, Lei; Liu, Song; Zhang, Tao; Liu, Fenru; Shen, Boming; Lan, Yu*;Bai, Ruopeng*,Journal of the American Chemical Society2019,141, 5772-5780.
“Oxidative Addition Promoted C–C Bond Cleavage in Rh-Mediated Cyclopropenone Activation: A DFT Study.”Luo, Yixin; Shan, Chunhui; Liu, Song; Zhang, Tao; Zhu, Lei; Zhong, Kangbao;Bai, Ruopeng*; Lan, Yu*,ACS Catalysis2019, 10876-10886.
“Hydrogen-Bond-Induced Chiral Axis Construction: Theoretical Study of Cinchonine–Thiourea-Catalyzed Enantioselective Intramolecular Cycloaddition.” Shan, Chunhui; Zhang, Tao; Xiong, Qin; Yan, Hailong;Bai, Ruopeng*; Lan, Yu*,Chemistry – An Asian Journal2019,14, 2731-2736.
“On the Mechanism of Palladium-Catalyzed Unsaturated Bond Transformations: A Review of Theoretical Studies.” Xiong, Qin; Chen, Haohua; Zhang, Tao; Shan, Chunhui;Bai, Ruopeng*; Lan, Yu*,Asian Journal of Organic Chemistry2019,8, 1194-1206.
“Mechanism of Brønsted-Base-Mediated Borylation of Propynols: A DFT Study.” Chen, Haohua; Zhang, Tao; Shan, Chunhui; Liu, Song; Song, Qiuling*; Lan, Yu*;Bai, Ruopeng*; Lan, Yu*,Organic Letters,2019,21, 4924-4928.
“Theoretical study of FMO adjusted C-H cleavage and oxidative addition in nickel catalysed C-H arylation.” Zhang, Tao; Liu, Song; Zhu, Lei; Liu, Fenru; Zhong, Kangbao; Zhang, Ying;Bai, Ruopeng*; Lan, Yu*,Communications Chemistry2019,2, 31.
“Investigating the Mechanism of Palladium Catalyzed Radical Oxidative C(sp3)-H Carbonylation: A DFT Study.” Xiong, Qin; Xu, Dongdong; Shan, Chunhui; Liu, Song; Luo, Yixin; Liu, Fenru; Liu, Shihan; Lan, Yu*;Bai, Ruopeng*,Chemistry – An Asian Journal2019,14,655-661.
“Theoretical Study of Ni-Catalyzed C–N Radical–Radical Cross-Coupling.” Liu, Song; Qi, Xiaotian;Bai, Ruopeng*; Lan, Yu*,Journal of Organic Chemistry2019,84,3321-3327.
“Probing enantioselectivity in rhodium-catalyzed Si–C bond cleavage to construct silicon-stereocenters: a theoretical study.” Yu, Zhaoyuan; Zhang, Tao;Bai, Ruopeng*; Lan, Yu*,Catalysis Science & Technology,2019,9, 646-651.
“Theoretical prediction on the reactivity of the Co-mediated intramolecular Pauson-Khand reaction for constructing bicyclo-skeletons in natural products.” Zhu, Lei; Wang, Zheyuan; Liu, Song; Zhang, Tao; Yang, Zhen;Bai, Ruopeng*; Lan, Yu*,Chinese Chemical Letters,2019,30, 889-894.
“Role of Alkaline-Earth Metal-Catalyst: A Theoretical Study of Pyridines Hydroboration.” Li, Yuanyuan; Wu, Meijun; Chen, Haohua; Xu, Dongdong; Qu, Lingbo; Zhang, Jing;Bai, Ruopeng*; Lan, Yu*,Frontiers in Chemistry2019,7, 149.
Ø2018
“Retro-metal-ene versus retro-Aldol: mechanistic insight into Rh-catalysed formal [3+2] cycloaddition.” Liu, Song; Zhang, Tao; Zhu, Lei; Zhong, Kangbao; Gong, Jianxian; Yang, Zhen;Bai, Ruopeng*; Lan, Yu*,Chemical communications2018,54, 13551-13554.
“Long distance unconjugated agostic-assisted 1,5-H shift in a Ru-mediated Alder-ene type reaction: mechanism and stereoselectivity.” Shan, Chunhui; Zhong, Kangbao; Qi, Xiaotian; Xu, Dongdong; Qu, Ling-Bo;Bai, Ruopeng*; Lan, Yu*,Organic Chemistry Frontiers2018,5,3178-3185.
“Mechanistic view of Ru-catalyzed C-H bond activation and functionalization: computational advances.” Shan, Chunhui; Zhu, Lei; Qu, Ling-Bo;Bai, Ruopeng*; Lan, Yu*,Chemical Society Reviews2018,47,7552-7576.
“Toward a Predictive Understanding of Phosphine-Catalyzed [3+2] Annulation of Allenoates with Acrylate or Imine.” Yu, Zhaoyuan; Jin, Zhichao; Duan, Meng;Bai, Ruopeng*; Lu, Yixin*; Lan, Yu*,Journal of Organic Chemistry2018,83,9729-9740.
“Recent Advances in Alkaline-Earth-Metal-Catalyzed Hydrofunctionalization Reactions.” Li, Yuanyuan; Cheng, Yuhua; Shan, Chunhui; Zhang, Jing; Xu, Dongdong;Bai, Ruopeng*; Qu, Ling-Bo;Lan, Yu*,Chinese Journal of Organic Chemistry2018,38,1885-1896.
“Theoretical insight into phosphoric acid-catalyzed asymmetric conjugate addition of indolizines to alpha,beta-unsaturated ketones.” Chen, Haohua; Zhu, Lei; Zhong, Kangbao; Yue, Xiaoyu; Qu, Ling-Bo;Bai, Ruopeng*; Lan, Yu*,Chinese Chemical Letters2018,29,1237-1241.
“Counterion Effect and Directing Group Effect in Rh-Mediated C-H Bond Activation Processes: A Theoretical Study.” Luo, Yixin; Liu, Song; Xu, Dongdong; Qu, Ling-Bo; Luo, Xiaoling*;Bai, Ruopeng*; Lan, Yu*,Journal of Organometallic Chemistry2018,864,148-153.
“Ni(I)–Ni(III) vs Ni(II)–Ni(IV): Mechanistic Study of Ni-catalyzed Alkylation of Benzamides with Alkyl Halides.” Li, Yingzi; Yu, Da-Gang*;Bai, Ruopeng*; Lan, Yu*,Organic Chemistry Frontiers2018,5,615-622.
“On the Mechanism of Copper-Catalyzed Oxytrifluoromethylation of Allylamines with CO2: A Computational Study.” Zhu, Lei; Ye, Jian-Heng; Duan, Meng; Qi, Xiaotian; Zou, Lufeng;Bai, Ruopeng*; Lan, Yu*,Organic Chemistry Frontiers2018,5,633-639.
“Ni-Catalyzed C–F Bond Functionalization of Unactivated Aryl Fluorides and Corresponding Coupling with Oxazoles.” Yin, Youzhi; Yue, Xiaoyu; Zhong, Qi; Jiang, Hanmin;Bai, Ruopeng*; Lan, Yu*; Zhang Hua*,Advanced Synthesis & Catalysis2018,360,1639-1643.
“C–H bond cleavage occurring on a Rh(V) intermediate: a theoretical study of Rh-catalyzed arene azidation.” Liu, Song; Qi, Xiaotian; Qu, Ling-Bo;Bai, Ruopeng*; Lan, Yu*,Catalysis Science & Technology2018,8,1645-1651.
“Insights into disilylation and distannation: sequence influence and ligand/steric effects on Pd-catalyzed difunctionalization of carbenes.” Yue, Xiaoyu; Shan, Chunhui; Qi, Xiaotian; Luo, Xiaoling; Zhu, Lei; Zhang, Tao; Li, Yuanyuan; Li, Yingzi;Bai, Ruopeng*; Lan, Yu*,Dalton Transactions2018,47, 1819-1826.
“Mechanism investigation for anoin-assisted nickel catalyzed C–F bond functionalization reaction: a DFT study.”Zeng, Zhen; Zhang, Tao; Yue, Xiaoyu; Zhang, Hua*;Bai, Ruopeng*; Lan, Yu*,Dalton Transactions2018,47, 1819-1826.
Ø2017
“Mechanism of Rhodium-Catalyzed C–H Functionalization: Advances in Theoretical Investigation.” Qi, Xiaotian; Li, Yingzi;Bai, Ruopeng; Lan, Yu*,Accounts of Chemical Research2017,50,2799–2808.
“From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3+2] Cycloaddition.” Duan, Meng; Zhu, Lei; Qi, Xiaotian; Yu, Zhaoyuan; Li, Yingzi;Bai, Ruopeng*; Lan, Yu*,Scientific Reports2017,7, 7619.
“Stabilization of Two Radicals with One Metal: A Stepwise Coupling Model for Copper-Catalyzed Radical-Radical Cross-Coupling.” Qi, Xiaotian; Zhu, Lei;Bai, Ruopeng*; Lan, Yu*,Scientific Reports2017,7, 43579.
“Computational Investigation of the Role Played by Rh(V) in the Rh(III)-Catalyzed Ortho Bromination of Arenes.” Zhang, Tao; Qi, Xiaotian; Liu, Song;Bai, Ruopeng*; Liu, Chao*; Lan, Yu*,Chemistry – A European Journal,2017,11, 2690-2699.
“Mononuclear or Dinuclear? Mechanistic Study of the Zinc-Catalyzed Oxidative Coupling of Aldehydes and Acetylenes.” Yue, Xiaoyu, Qi, Xiaotian;Bai, Ruopeng*; Lei, Aiwen*; Lan, Yu*,Chemistry – A European Journal, 2017,11, 6419-6425.
“Ir(III)/Ir(V) or Ir(I)/Ir(III) Catalytic Cycle? Steric-Effect-Controlled Mechanism for the para-C–H Borylation of Arenes.” Zhu, Lei; Qi, Xiaotian; Li, Yingzi; Duan, Meng; Zou, Lufeng;Bai, Ruopeng*; Liu, Chao*; Lan, Yu*,Organometallics,2017,11, 2107-2115.
“Bond Dissociation Energy Controlled s-Bond Metathesis in Alkaline-Earth-Metal Hydride Catalyzed Dehydrocoupling of Amines and Boranes: A Theoretical Study.” Xu, Dongdong; Qi, Xiaotian; Duan, Meng; Yu, Zhaoyuan; Zhu, Lei; Shan, Chunhui; Yue, Xiaoyu;Bai, Ruopeng*; Lan, Yu*,Inorganic Chemistry Frontiers2017,4,1813-1820.
“Thiolate-Palladium(IV) or Sulfonium-Palladate(0)? A Theoretical Study on the Mechanism of Palladium-Catalyzed C-S Bond Formation Reactions.” Xu, Dongdong; Qi, Xiaotian; Duan, Meng; Yu, Zhaoyuan; Zhu, Lei; Shan, Chunhui; Yue, Xiaoyu;Bai, Ruopeng*; Lan, Yu*,Organic Chemistry Frontiers2017,4,943-950.
“The Mechanism of Alkaline Earth Metal Catalyzed Hydroboration of Carbodiimides: A Theoretical Study.” Xu, Dongdong; Shan, Chunhui;Bai, Ruopeng*; Lan, Yu*;Chinese Journal of Organic Chemistry2017,37, 1231-1236.
“Mechanistic Insights into Copper-Catalyzed Trifluoromethylation of Aryl Boronic Acids: A Theoretical Study.” He, Xiaoqian; Shan, Chunhui;Bai, Ruopeng*; Lan, Yu*;Scientia Sinica Chimica2017,47, 859-864.
“C(sp(2))-C(sp(2)) Reductive Elimination from Well-Defined Diarylgold(lll) Complexes.” Kang, Kai; Liu, Shuanshuan; Xu, Ting; Wang, Decai; Leng, Xuebing;Bai, Ruopeng; Lan, Yu*; Shen, Qilong*;Organometallics2017,36, 4727-4740.
