Abstract：
Propiolic acid was investigated in the superacidic system XF/SbF5 (X = H, D). The salts of the monoprotonated species of propiolic acid were characterized by vibrational and NMR spectroscopy as well as single-crystal analyses. The rotational conformers of the protonated species can be distinguished by NMR spectroscopy via the temperature-dependent rotational barrier. In the solid state, they can be detected by H/D exchange and packing effects due to different anions. The experimental results are discussed together with an IRC calculation of the rotational barrier. After acetic acid and formic acid, this is the third protonated carboxylic acid for which the energy differences between the conformers have been determined.
摘要：
在超酸性系统XF/SbF5（X=H，D).通过振动和NMR光谱以及单晶分析来表征丙炔酸单质子化物种的盐。质子化物质的旋转构象异构体可以通过温度依赖性旋转屏障通过NMR波谱法来区分。在固态下,它们可以通过不同阴离子的H/D交换和堆积效应来检测。讨论了实验结果以及旋转屏障的IRC计算。乙酸和甲酸后，这是第三种质子化的羧酸，其构象异构体之间的能量差异已被确定。
