Microwave Heating of Liquid Crystals and Ethanol-Hexane Mixed Solution and Its Features (Review)

A. Naito, Yugo Tasei, B. Mijiddorj, I. Kawamura, K. Ueda
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Abstract

Microwave heating is widely used to accelerate organic reactions in the chemistry field. However, the effect of microwaves on chemical reaction has not yet been well characterized at the molecular level. In this review chapter, microwave heating processes of liquid crystals and an ethanol-hexane mixed solution under microwave irradiation were experimentally and theoretically investigated using in situ microwave irradiation nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulation, respectively. The temperature of the solution under microwave irradiation was estimated from a chemical shift calibrated temperature (CSC-temperature) which was determined from the temperature dependence of the 1H chemical shift. The CSC-temperatures of CH2 and CH3 non-polar protons of ethanol reflect the bulk temperature of a solution by the thermal microwave effect. The lower CSC-temperature of the OH polar protons in ethanol and much higher CSC-temperature of H-C=N (7′) and CH3-O (α’) protons of N-(4-methoxybenzyliden)-4-butylaniline with respect to the bulk temperature are attributed to the non-thermal microwave effects. According to the MD simulation under microwave irradiation, the number of hydrogen bonds increased in the ethanol-hexane mixed solution as a result of a non-thermal microwave effect. It is concluded that a coherently ordered low entropy state of polar molecules is induced by a non-thermal microwave effect. The ordered state induces molecular interaction, which may accelerate the chemical reaction rate between molecules with polar groups.
液晶与乙醇-己烷混合溶液的微波加热及其特点(综述)
微波加热在化学领域被广泛用于加速有机反应。然而,微波对化学反应的影响尚未在分子水平上得到很好的表征。本综述章分别采用原位微波辐照核磁共振波谱和分子动力学模拟技术,对微波辐照下液晶和乙醇-己烷混合溶液的微波加热过程进行了实验和理论研究。微波辐照下溶液的温度由化学位移校准温度(csc -温度)估算,该温度由1H化学位移的温度依赖性确定。乙醇的CH2和CH3非极性质子的csc温度通过热微波效应反映了溶液的体温。乙醇中OH极性质子的csc温度较低,而N-(4-甲氧基苄基)-4-丁苯胺的H-C=N(7′)和CH3-O (α′)质子的csc温度相对于体温较高,这是由于非热微波效应所致。微波辐照下的分子动力学模拟表明,乙醇-己烷混合溶液中的氢键数目增加是由于非热微波效应的结果。得出极性分子的相干有序低熵态是由非热微波效应引起的。有序态诱导了分子间的相互作用,加速了极性基团分子间的化学反应速率。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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