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首页> 外文期刊>Chemistry: A European journal >Use of Raman spectroscopy as an In Situ Tool to Obtain Kinetic Data for Organic Transformations
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Use of Raman spectroscopy as an In Situ Tool to Obtain Kinetic Data for Organic Transformations

机译：使用拉曼光谱作为获得有机转化动力学数据的原位工具

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摘要

Raman spectroscopy has been used as an in situ tool to obtain kinetic data for an organic transformation. The model reaction studied was the synthesis of 3-acetylcoumarin from the condensation between salicylaldehyde and ethyl acetoacetate with piperidine as a catalyst. The study shows that precise kinetic data can be obtained quickly and reproducibly, allowing for the facile determination of both overall reaction order and reaction order with respect to each component of the reaction. Additionally, Arrhenius parameters such as activation energy for a reaction can be readily obtained. In conjunction with computational modeling, this data-rich analysis technique also allows for in-depth probing of mechanistic aspects of reactions. Microwave heating proves to be an ideal tool for aiding in kinetic studies. It offers reproducible noncontact heating as well as precise temperature monitoring and data recording.
机译：拉曼光谱已被用作原位工具以获得有机转化的动力学数据。研究的模型反应是由水杨醛和乙酰乙酸乙酯与哌啶催化缩合反应合成3-乙酰香豆素。研究表明，可以快速，可重复地获得精确的动力学数据，从而可以轻松确定总体反应顺序和反应各组分的反应顺序。另外，可以容易地获得诸如反应的活化能的阿累尼乌斯参数。与计算模型相结合，这种数据丰富的分析技术还可以对反应机理进行深入探测。事实证明，微波加热是辅助动力学研究的理想工具。它提供可重现的非接触加热以及精确的温度监控和数据记录。

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