Grupo de Espectrocopía Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico UVa, Universidad de Valladolid, 47011, Valladolid, Spain.
Phys Chem Chem Phys. 2022 Oct 12;24(39):24032-24038. doi: 10.1039/d2cp03367d.
Sulfanilamide, a widely used antibacterial drug, has been brought into the gas phase using laser ablation techniques, and its structure has been characterized in the isolated conditions of a supersonic expansion using Fourier transform microwave techniques. A single conformer stabilized by an N-H⋯OS intramolecular interaction in an equatorial disposition has been unequivocally characterized. To emulate the microsolvation process, we studied its hydrated cluster. The results show that a single water molecule alters the conformational preference and forces sulfanilamide to switch from its initial eclipsed configuration to a staggered disposition. The observed hydrated cluster adopts a structure in which water forms three hydrogen bonds with sulfanilamide stabilizing the molecule.
磺胺，一种广泛使用的抗菌药物，已经通过激光烧蚀技术带入气相，并使用傅里叶变换微波技术在超声速膨胀的隔离条件下对其结构进行了表征。通过 N-H⋯O 氢键相互作用稳定的单个构象在赤道位置得到了明确的表征。为了模拟微溶剂化过程，我们研究了它的水合团簇。结果表明，单个水分子改变了构象偏好，迫使磺胺从初始重叠构象转变为交错构象。观察到的水合团簇采用了一种结构，其中水分子与磺胺形成三个氢键，稳定了分子。
