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基于红外光谱和核磁共振的深共熔溶剂酸度标度

Acidity scales of deep eutectic solvents based on IR and NMR.

作者信息

Zhou Fengyi, Shi Ruifen, Wang Yingxiong, Xue Zhimin, Zhang Baolong, Mu Tiancheng

机构信息

Key Laboratory of Advanced Light Conversion Materials and Biophotonics, Department of Chemistry, Renmin University of China, Beijing, 100872, China.

Institute of Coal Chemistry, Chinese Academy of Science, Taiyuan, 030001, China.

出版信息

Phys Chem Chem Phys. 2022 Jul 21;24(28):16973-16978. doi: 10.1039/d2cp01816k.

Abstract

Acidic deep eutectic solvents (ADESs) have been utilized in various applications. Clearly, it is crucial to obtain acidity information that could reveal the relationship with performance. However, appropriate methods for measuring acidity are limited. Herein, we developed two promising approaches (without additional solvents) to identify and characterize both Lewis and Brønsted acidities by applying acetonitrile as an infrared probe and trimethylphosphine oxide (TMPO) as a nuclear magnetic resonance (NMR) probe. The acetonitrile IR approach is suitable for measuring the acidity of Lewis ADESs by monitoring the peak of around 2300 cm, and the P-TMPO NMR approach could identify and scale both Lewis and Brønsted acidities precisely. Moreover, a perfect linear relationship between the IR shift of and the effective charge density of metal cations was established, which provides a better understanding of Lewis acidity. In short, this study not only offers two efficient acidity measurement methods but also provides a molecular basis for optimizing the performance of ADESs in applications.

摘要

酸性深共熔溶剂(ADESs)已被应用于各种领域。显然,获取能够揭示其与性能之间关系的酸度信息至关重要。然而,用于测量酸度的合适方法有限。在此,我们开发了两种有前景的方法(无需额外溶剂),通过将乙腈用作红外探针以及将三甲基氧化膦(TMPO)用作核磁共振(NMR)探针来识别和表征Lewis酸度和Brønsted酸度。乙腈红外方法适用于通过监测约2300 cm处的峰来测量Lewis ADESs的酸度,而P - TMPO NMR方法能够精确识别和标定Lewis酸度和Brønsted酸度。此外,在 的红外位移与金属阳离子的有效电荷密度之间建立了完美的线性关系,这有助于更好地理解Lewis酸度。简而言之,本研究不仅提供了两种有效的酸度测量方法,还为优化ADESs在应用中的性能提供了分子基础。

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