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Application of 15N-NMR spectroscopy to analysis of amine based CO2 capture solvents

机译:15N-NmR光谱法在胺类CO2捕获溶剂分析中的应用

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摘要

15N NMR spectroscopy is a useful tool for amine reactivity characterization since it can provide information about the availability of the lone pair of electrons on nitrogen through the measured chemical shift values, which depend on molecular structure and medium effects. Although the amino nitrogen is the focal nucleus of the carbon dioxide-amine reaction, 15N NMR measurements have so far received little attention in the field of amine-based chemical absorption of carbon dioxide. In this study, from one hand, through 15N NMR chemical shifts measurements, the effect of solvent on the electron density of the nitrogen of 2-methyl-2-amino-1-propanol (AMP) in solvent blends was investigated; from the other hand, 15N NMR chemical shifts of aqueous primary non-hindered and hindered alkyl amines were related to the corresponding carbamate forming and carbamate stability equilibrium constants as well as carbamate forming kinetic constants, showing linear relationships. Such correlations could be useful for predictive estimation of carbamate-related equilibrium and kinetic constants.
机译:15N NMR光谱法是表征胺反应性的有用工具,因为它可以通过测定的化学位移值(取决于分子结构和介质效应)提供有关氮上孤对电子的可用性的信息。尽管氨基氮是二氧化碳-胺反应的焦点,但15N NMR测量迄今为止在基于胺的二氧化碳化学吸收领域中很少受到关注。在这项研究中,一方面,通过15N NMR化学位移测量,研究了溶剂对溶剂混合物中2-甲基-2-氨基-1-丙醇(AMP)氮的电子密度的影响。另一方面,未受阻和受阻的伯烷基胺的15N NMR化学位移与相应的氨基甲酸酯形成和氨基甲酸酯稳定性平衡常数以及氨基甲酸酯形成动力学常数相关,表现出线性关系。这样的相关性对于氨基甲酸酯相关的平衡和动力学常数的预测估计可能是有用的。

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