Jakobsen Jana P, da Silva Eirik F, Krane Jostein, Svendsen Hallvard F
Department of Chemical Engineering, Norwegian University of Science and Technology, 7491 Trondheim, Norway.
J Magn Reson. 2008 Apr;191(2):304-14. doi: 10.1016/j.jmr.2007.12.022. Epub 2008 Jan 9.
13C and 1H NMR spectra were obtained for AEEA (2-[(2-aminoethyl)amino]-ethanol)-H2O-CO2 systems and quantum mechanical calculations were carried out for the different AEEA species. The results suggest that the main AEEA species under the conditions studied are free amine, primary carbamate, and secondary carbamate. There is also some indication that a dicarbamate species is formed, this species does however only appear to be formed in small amounts. Comparison between experimental data and quantum mechanical calculations suggest that most AEEA species take on conforms with some degree of intramolecular hydrogen bonding.
获得了2-[(2-氨基乙基)氨基]乙醇（AEEA）-水-二氧化碳体系的13C和1H核磁共振谱，并对不同的AEEA物种进行了量子力学计算。结果表明，在所研究的条件下，主要的AEEA物种是游离胺、伯氨基甲酸盐和仲氨基甲酸盐。也有一些迹象表明形成了二氨基甲酸盐物种，然而该物种似乎仅少量形成。实验数据与量子力学计算之间的比较表明，大多数AEEA物种呈现出具有一定程度分子内氢键的构象。
