酮不对称加氢理论研究与非贵金属催化剂设计

21873107
2018
B0307.化学反应机制
杨新征
面上项目
研究员
中国科学院化学研究所
66万元
不对称氢化;酮;密度泛函计算;催化剂设计;反应机理研究
2019-01-01到2022-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Computational Prediction of Chiral Iron Complexes for Asymmetric Transfer Hydrogenation of Pyruvic Acid to Lactic Acid 期刊论文 Wang Wan;Yang Xinzheng
2 Computational prediction of pentadentate iron and cobalt complexes as a mimic of mono-iron hydrogenase for the hydrogenation of carbon dioxide to methanol 期刊论文 Wang Wan;Qiu Bing;Yang Xinzheng
3 Binuclear O-2 activation and hydrogen transfer mechanism for aerobic oxidation of alcohols 期刊论文 Hu Zhiyun;Ge Hongyu;Yang Xinzheng
4 Rethinking the reaction pathways of chemical reduction of graphene oxide 期刊论文 Jianqiang Guo;Boyang Mao;Jiongli Li;Xudong Wang;Xinzheng Yang
5 DFT and AIMD prediction of a SNS manganese pincer complex for hydrogenation of acetophenone 期刊论文 Qian Fangyuan;Chen Xiangyang;Yang Xinzheng
6 Mechanistic insights into asymmetric transfer hydrogenation of pyruvic acid catalysed by chiral osmium complexes with formic acid assisted proton transfer 期刊论文 Wang Wan;Yang Xinzheng
7 Unexpected role of two ortho-OH groups for the hydrogenation of CO2 to methanol catalyzed by Fe bipyridinol complexes 期刊论文 Xiuli Yan;Yongjing Hao;Zheng Zhu;Tao Chang;Xinzheng Yang
8 Pyridine coordination enabled stepwise PT/ET N–H transfer and metal-independent C–C cleavage mechanism for Cu-mediated dehydroacylation of unstrained ketones 期刊论文 Zhiyun Hu;Rongrong Li;Xinzheng Yang
9 Mechanistic insights and computational design of half-sandwich iridium and rhodium complexes for hydrogenation of quinoline 期刊论文 Yan Xiuli;Yang Xinzheng
10 Computational Prediction of Ammonia-Borane Dehydrocoupling and Transfer Hydrogenation of Ketones and Imines Catalyzed by SCS Nickel Pincer Complexes 期刊论文 Qiu Bing;Wang Wan;Yang Xinzheng
11 Computational Study of the Substituent Effects for the Spectroscopic Properties of Thiazolo[5,4-d]thiazole Derivatives 期刊论文 Li Rongrong;Yang Xinzheng
12 Bioinspired Design and Computational Prediction of SCS Nickel Pincer Complexes for Hydrogenation of Carbon Dioxide 期刊论文 Liu Xiaoyun;Qiu Bing;Yang Xinzheng
13 Mechanistic Insights into Selective Hydrogenation of C=C Bonds Catalyzed by CCC Cobalt Pincer Complexes: A DFT Study 期刊论文 Zheng Zuo;Xinzheng Yang
14 Computational Design of SCS Nickel Pincer Complexes for the Asymmetric Transfer Hydrogenation of 1-Acetonaphthone 期刊论文 Qiu Bing;Wang Wan;Yang Xinzheng
15 Hydrogenation of CO2 to Methanol Catalyzed by CpCo Complexes: Mechanistic Insights and Ligand Design 期刊论文 Yan Xiuli;Ge Hongyu;Yang Xinzheng
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