Grupo de Espectroscopia Molecular, Departamento de Química Física, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid, Spain.
J Phys Chem A. 2009 Dec 31;113(52):14681-3. doi: 10.1021/jp904586c.
The conformational preferences of the amino sulfonic acid taurine (NH(2)-CH(2)-CH(2)-SO(3)H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H...N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.
气相中通过激光烧蚀分子束傅里叶变换微波光谱法（LA-MB-FTMW）研究了氨基磺酸基（NH(2)-CH(2)-CH(2)-SO(3)H）牛磺酸的构象偏好，在 6-14GHz 频率范围内观察到一种构象体，并通过对其旋转光谱的分析确定了其旋转、离心扭曲和超精细四极耦合常数。实验常数与理论计算常数的比较明确识别出所检测的构象体。牛磺酸的观察到的构象体通过磺酸基团的氢和氨基氮原子之间的分子内氢键 O-H...N 稳定。
