Abstract The speciation in CO2-loaded aqueous solutions of 16 different derivates of triacetoneamine (EvAs) was investigated in a comprehensive NMR-spectroscopic study. About 350 experiments were carried out for CO2-loadings up to 3 moles CO2 per mole amine, temperatures between 20 °C and 100 °C, and a mass fraction of EvA in the unloaded solvent of 0.1 g/g. The observed CO2-containing species were primary and secondary carbamates, alkylcarbonate, (bi)carbonate, and molecular CO2. Some EvAs can form zwitterions with a ring structure, which have an important influence on the speciation. From the comprehensive set of data, relationships between the chemical structure of the EvAs and the observed speciation in aqueous solution were established. These results were related to application properties of the EvAs that were taken from previous work. Based on the findings, some general guidelines for the design of new amines were derived and applied for proposing new amines for CO2-absorption.

中文翻译：

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十六种三丙酮胺衍生物 (EvAs) 的 CO2 负载水溶液的形态和结构-性能关系的阐明

摘要 在一项全面的 NMR 光谱研究中，研究了三丙酮胺 (EvAs) 的 16 种不同衍生物在 CO2 负载水溶液中的形态。对于每摩尔胺最多 3 摩尔 CO2 的 CO2 负载、20°C 至 100°C 之间的温度以及 0.1 g/g 的未负载溶剂中的 EvA 质量分数，进行了大约 350 次实验。观察到的含 CO2 物质是一级和二级氨基甲酸酯、烷基碳酸酯、（重）碳酸酯和分子 CO2。一些 EvAs 可以形成具有环状结构的两性离子，这对物种形成有重要影响。从全面的数据集中，建立了 EvA 的化学结构与在水溶液中观察到的物种形成之间的关系。这些结果与从以前的工作中获取的 EvA 的应用特性有关。