【摘 要】
：
The airing of transition metal catalysis with SelectfluorTM(F-TEDA-BF4)as attracted considerable attention due to its utility in myriad C-C and C-heteroatom
【机 构】
：
Institute of Theoretical Chemistry,Shandong University
论文部分内容阅读
The airing of transition metal catalysis with SelectfluorTM(F-TEDA-BF4)as attracted considerable attention due to its utility in myriad C-C and C-heteroatom bond forming reactions.1-3 However,little mechanistic information is available for electfluorTM-mediated transition metal-catalyzed reactions,and controversy surrounds the precise role of SelectfluorTM in these processes.We present a systematic investigation of homogeneous,Au-catalyzed oxidative C-O bond-forming reactions using density functional theory calculations.Currently,SelectfluorTM is thought to serve as an external oxidant in Au(I)/Au(III)catalysis.4-6 However,we show that these reactions actually follow a newly proposed mechanism in which SelectfluorTM functions as an electrophilic fluorinating reagent involved in a fluorination/defluorination cycle.We also explored SelectfluorTM-mediated gold-catalyzed homo-coupling reactions,which lead to unexpected byproducts in the case of cyclopropyl propargylbenzoate as a substrate.
其他文献
系统性红斑狼疮(systemic lupus erythematosus,SLE)在亚洲人群的发病率及严重程度高于其他人群,被认为是亚洲疾病(Asia disease),其中狼疮性肾炎(lupus nephritis,LN)为SLE
以羟丙酸为例，我们开发了一套基于量子力学计算和热力学实验数据的全原子力场开发方法，此方法可以很好的再现分子的动力学和热力学性质，且其参数本身可以实现良好的自洽。众
第三十八章 【原文】 上德不德，是以有德；下德不失德，是以无德。上德无为，而无以为；下德为之，而有以为。上仁为之，而无以为；上义为之，而有以为。上礼为之，而莫之应，则攘臂而扔之。故失道而后德，失德而后仁，失仁而后义，失义而后礼。夫礼者，忠信之薄，而乱之首。前识者，道之华，而愚之始。是以大丈夫处其厚，不居其薄；处其实，不居其华。故去彼取此。 【臆解】 德行高的人，内心深处完全没有德的概念，总
咔唑类衍生物由于其独特的光电性质,近年来广泛应用于有机电子器件中。以双吲哚咔唑为核心的衍生物不仅具有卓越的稳定性,而且可以以此合成性能优良的蓝光发光材料以及传
智能驱动器因其可在环境刺激(光、热、磁、pH等)下进行可控且可逆的形状变化,具有非常大的发展潜力。石墨烯及其衍生物由于具有单原子层厚度的二维结构,以及轻质,高比表面积,高机械强度等特点,被认为是可以制备高性能驱动器的新型材料。氧化石墨烯(GO)是石墨烯最重要的一种衍生物,表面含有的丰富含氧官能团,且拥有良好的成膜性,可以通过吸水/失水改变GO薄膜层间距,从而制备成湿度响应器。同时,石墨烯与GO均具
theoretically.The structures of the reactant clusters with and without ammonia and subsequent hydrolysis pathways were determined at the CCSD(T)/aug-cc-pVDZ
Shannon entropy and Fisher information are key quantities in information theory.These quantities involve only the electron density and its gradient,so,accor
The intramolecular radical anion cycloadditions of a series of bis(enones)have been explored by DFT(U)B3LYP computational method in conjunction with the 6-3
Oxides supported gold has been shown to exhibit exceptional catalytic activity for CO oxidation at low temperatures,which has stimulated extensive experimen
作文点评或者作文评价是高中英语写作教学过程中的一个重要环节,也是有效激发学生的思维,让学生主动参与学习的一个重要过程.本文将从学生为主体的视角出发,探讨学生自评和互