吲哚存在下异喹啉与乙酰二甲基羧酸二甲酯的三组分反应:反应机理的理论和实验研究

IF 2.1 4区化学 Q3 CHEMISTRY, PHYSICAL

Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI:10.1177/1468678320956864

M. Zakari̇anezhad, S. Habibi‐Khorassani, Batoul Maki̇abadi̇, E. Zeydabadi

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引用次数: 1

摘要

采用紫外分光光度法研究了异喹啉、二甲基乙酰二羧酸酯和吲哚(作为nh酸)的反应动力学。得到了反应速率方程，确定了反应速率对不同反应物的依赖关系，并计算了总速率常数kov。通过研究溶剂、温度和浓度对反应速率的影响，得到了一些有用的信息。提出了与实验结果一致的逻辑机制。同时，对参与反应机理的各结构的势能面进行了全面的理论研究。最后，根据所得结果对所提出的机理进行了验证，并根据理论结果提出了可能的、合乎逻辑的反应路径和正确的产物构型。

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Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism

The reaction kinetics among isoquinoline, dimethyl acetylenedicarboxylate, and indole (as NH-acid) were investigated using ultraviolet (UV) spectrophotometry. The reaction rate equation was obtained, the dependence of the reaction rate on different reactants was determined, and the overall rate constant (kov) was calculated. By studying the effects of solvent, temperature, and concentration on the reaction rate, some useful information was obtained. A logical mechanism consistent with the experimental observations was proposed. Also, comprehensive theoretical studies were performed to evaluate the potential energy surfaces of all structures that participated in the reaction mechanism. Finally, the proposed mechanism was confirmed by the obtained results and the probable and logical reaction paths and also a correct product configuration were suggested based on the theoretical results.

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来源期刊

Progress in Reaction Kinetics and Mechanism 化学-物理化学

CiteScore

2.10

自引率

0.00%

发文量

审稿时长

2.3 months

期刊介绍： The journal covers the fields of kinetics and mechanisms of chemical processes in the gas phase and solution of both simple and complex systems.