《前過渡金屬氧化物製備過程中重要反應的機理研究》是張欣豪為項目負責人，北京大學為依託單位的青年科學基金項目。
基本介紹
- 中文名：前過渡金屬氧化物製備過程中重要反應的機理研究
- 項目類別 ：青年科學基金項目
- 項目負責人：張欣豪
- 依託單位 ：北京大學
科研成果,項目摘要,
科研成果
序號 | 標題 | 類型 | 作者 |
|---|---|---|---|
1 | Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols | 期刊論文 | Norrby, Per-Ola|Wu, Yun-Dong|Sigman, Matthew S.|Wiest, Olaf| |
2 | New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry | 期刊論文 | Zhang, Xinhao|Chung, Lung Wa|Wu, Yun-Dong| |
3 | Ir-Catalyzed Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes: A Combined Experimental and Computational Study | 期刊論文 | Wang, Yong|Zhang, Xinhao|Wu, Yun-Dong|Sun, Jianwei| |
4 | A diversity-oriented synthesis of bioactive benzanilides via a regioselective C(sp2)–H hydroxylation strategy | 期刊論文 | Sun, Tian-Yu|Wu, Yun-Dong|Zhang, Xinhao|Rao, Yu| |
5 | Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study | 期刊論文 | Zhang, Xinhao|Du, Yunfei|Wu, Yun-Dong|Zhao, Kang| |
6 | Ligand-Controlled Reactivity, Selectivity, and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones, and Nitriles: A Theoretical Study | 期刊論文 | Chung, Lung Wa|Zhang, Xinhao|Houk, K. N.|Wu, Yun-Dong| |
7 | A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework | 期刊論文 | Sun, Tian-Yu|Zhang, Xinhao|Yu, Jin-Quan|Wu, Yun-Dong| |
8 | Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions | 期刊論文 | Zhang, Xinhao|Chung, Lung Wa|Xu, Liping|Wu, Yun-Dong| |
9 | Mechanistic Study on Pd/Mono-N-protected Amino Acid Catalyzed Vinyl-Vinyl Coupling Reactions: Reactivity and E/Z Selectivity | 期刊論文 | Cheng, Gui-Juan|Chen, Ping|Zhang, Xinhao|Wu, Yun-Dong| |
10 | Palladium-catalyzed benzo[d]isoxazole synthesis by C-H activation/[4+1] annulation | 期刊論文 | Wu, Yun-Dong|Wang, Dongqi|Zhang, Xinhao|Zhao, Jing| |
11 | Metal-Free [2+2+2] Cycloaddition of Ynamides and Nitriles: Mild and Regioselective Synthesis of Fully Substituted Pyridines | 期刊論文 | Wang, Yong|Song, Li-Juan|Zhang, Xinhao|Sun, Jianwei| |
12 | Role of N-Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C-H Activation of Tethered Arenes | 期刊論文 | Zhang, Xinhao|Houk, K. N.|Yu, Jin-Quan|Wu, Yun-Dong| |
13 | Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents | 期刊論文 | Xie, Yaoming|Wu, Yun-Dong|Zhang, Xinhao|Schaefer, Henry F., III| |
項目摘要
金屬氧化物，尤其是前過渡金屬氧化物，在現代工業中占據重要的地位，在許多新材料、電子工業、新能源技術以及工業催化劑等方面有著非常廣泛的套用。化學氣相沉積法(CVD)和溶膠-凝膠法（Sol-gel）是兩種金屬氧化物材料製備方法。本項目擬使用量子化學計算與質譜相結合的手段，從分子層次上研究下列d0前過渡金屬化合物反應：1、質子化VO（OR）3的氣相裂解反應；2、VO(OR)3的水解；3、鎢卡拜化合物與O2的反應；4、鎢卡拜化合物與H2O的反應。在電子結構，反應活性等方面有較深的理解，並利用這些機理信息來指導前驅體的最佳化和開發。
