Mechanism insight on Ag2CO3 catalyzed(3+2)cyclization of isocyanides-alkynes to synthesize pyrroles

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:wwwenda
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  The mechanism of Ag2CO3 catalyzed(3+2)cycloaddition of isocyanides and alkynes is investigated using density functional theory calculations.
其他文献
随着城市化进程的推进和经济的发展,以细颗粒物(PM2.5)为主要成分的空气污染已成为全国性的环境问题.PM2.5颗粒表面附着大量具有内分泌和代谢干扰效应的内分泌干扰物(EndocrineDisrupting Chemicals,即EDCs),例如重金属、多环芳烃、挥发性有机物等,而且固体颗粒本身也对机体的正常代谢存在显著的影响.本研究利用基于液相色谱/质谱的代谢组学技术,分析经PM2.5悬混液气管
Mercury is a harmful heavy metal due to its volatility,bioaccumulation and neurological toxicity.
会议
Dinitrogen(N2) is the most abundant component in the atmosphere of earth,but its chemical inertness has hampered the utilization of the dinitrogen resource under ordinary conditions.
会议
B4 is an important building block of B-/0/+n clusters [1,2,3],calling for in-depths investigations of its properties.
会议
Full-dimensional quantum dynamics studies of the photodetachment of HCO2- and DCO2- are reported using a wave packet method on an accurate global potential energy surface of the neutral HOCO/HCO2 syst
会议
Density Functional Theory(DFT) calculations at IDSCRF-B3LYP/DGDZVP level have been performed to inverstigate the reaction mechanisms and regioselectivities of Nicatalyzed [2+2+2] cycloaddition reactio
会议
Quantum chemical DFT calculations were carried out on the possible structure and reaction pathways of formation of the experimentally observed dinuclear complex [CoⅡCoⅢ(dmgH)4(py)2(H2O)2]+[1] in water
会议
The conversion of the green gas of CO2 into CH4,which can reduce environmental pollution and make full use of carbon resources,is of fundamental and applied interest.
会议
Photoexcitation of iodide-polar solvent molecule clusters results in the transfer of an electron from an iodide localised orbital to a diffuse solvent cluster localised orbital,followed by extensive r
会议
Chloroethylnitrosoureas(CENUs) are a significant family of anticancer alkylating agents widely used in the clinical treatments of various human malignancies,including brain tumor,melanoma,lymphoma and
会议