过渡金属化学选择性催化碳氢键胺化机理的理论计算研究

21302133
2013
B0307.化学反应机制
鲍晓光
青年科学基金项目
教授
苏州大学
25万元
化学选择性;碳氢键胺化;密度泛函计算;反应机理;过渡金属催化
2014-01-01到2016-12-31
  • 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 Mechanistic Investigations of the AuCl3？Catalyzed Nitrene Insertion into an Aromatic CH Bond of Mesitylene 期刊论文 Miao Qi|Jiajun Liu|Xiaoguang Bao|Henry F. Schaefer, III|
2 Computational insight into the mechanism of the Pd(0)–Br？nsted acid cooperatively catalysed headto-tail dimerization of terminal alkynes 期刊论文 Hao Zhang|Xiaoguang Bao|
3 Nucleus-Independent Chemical Shift Analysis of the Electronic States ofthe (CO)4, (CS)4, and (CSe)4 Molecules 期刊论文 Yunfei Zhou|Xiaoguang Bao|Weston Thatcher Borden|
4 Cu-based carbene involved in a radical process: a newcrossover reaction to construct γ-peroxy esters and 1,4-dicarbonyl compounds 期刊论文 Ying Shao|Jiang Cheng|Xiaoguang Bao|Xiaobing Wan|
5 Is PdII-Promoted σ-Bond Metathesis Mechanism Operative for the Pd-PEPPSI Complex-Catalyzed Amination of Chlorobenzene with Aniline? Experiment and Theory 期刊论文 Lei Zhu|Yunfei Zhou|Xiaoguang Bao|Henry F. Schaefer III|
6 Enantioselective Carbene Cascade: An Effective Approach to Cyclopentadienes and Applications in Diels–Alder Reactions 期刊论文 Yang Zheng|Cheng Zhang|Xiaoguang Bao|Xinfang Xu|
7 Catalyst-Free S–S Bond Insertion Reaction of a Donor/Acceptor- Free Carbene by a Radical Process: A Combined Experimental and Computational Study 期刊论文 Ruwei Yao|Lihua Qiu|Xiaoguang Bao|Xinfang Xu|
8 A facile and regioselective synthesis of 1-tetralones viasilver-catalyzed ring expansion 期刊论文 Huijun Zhao|Shuguang Liang|Xiaoguang Bao|Chen Zhu|
9 Theoretical Analysis of the Fragmentation of (CO)5: A Symmetry-Allowed Highly Exothermic Reaction that Follows a Stepwise Pathway 期刊论文 Jiajun Liu|Xiaoguang Bao|David A. Hrovat|Weston Thatcher Borden|
10 Computational exploration of the mechanism of copper-catalyzed aromatic C–H bond amination of benzene via a nitrene insertion approach 期刊论文 Kaipeng Hou|David A. Hrovat|Xiaoguang Bao|
11 零价钯和苯甲酸共催化内炔烃氢胺化反应机理的理论研究 期刊论文 卞荣剑|鲍晓光|
12 Difunctionalization of Styrenes with Perfluoroalkyl and tert- Butylperoxy Radicals: Room Temperature Synthesis of (1？(tert- Butylperoxy)-2-perfluoroalkyl)-ethylbenzene 期刊论文 Yuanzheng Lv|Meishan Ji|Xiaoguang Bao|Xiaobing Wan|
13 DFT Study of Pd(0)-Promoted Intermolecular C？H Amination with O？Benzoyl Hydroxylamines 期刊论文 Yunfei Zhou|Xiaoguang Bao|
14 Regiospecific synthesis of distally chlorinated ketones via C–C bond cleavage of cycloalkanols 期刊论文 Huijun Zhao|Jiajia Yu|Xiaoguang Bao|Chen Zhu|
15 Tris(3,4-dimethylenecyclobuteno)benzene Derivatives with Enhanced Carbon–Carbon Bond-Length Alternation in Annelated Benzene 期刊论文 Chenli Wang|Yunfei Zhou|Ogunlana Abosede A.|Xiaoguang Bao|
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