Jessen Christoph, Kornath Andreas J
Department of Chemistry, Ludwig-Maximilian University of Munich, Butenandtstr. 5-13, 81377, München, Germany.
Angew Chem Int Ed Engl. 2024 May 13;63(20):e202401953. doi: 10.1002/anie.202401953. Epub 2024 Apr 9.
Salts of protonated sulfur dioxide were synthesized by recrystallization of [FS(OX)][SbF] (X=H, D) in aprotic solvents at low temperatures. Hemiprotonated sulfur dioxide [(SO)H][SbF] was obtained from the solvent SO and the monoprotonated sulfur dioxide [OSOD][SbF], using 1,1,1,2-tetrafluoroethane as solvent. For both compounds, single crystals were obtained and an X-ray structure analysis was conducted. Furthermore, the salts were characterized by Raman spectroscopy and the results were discussed together with quantum chemical calculations on the M06-2X/aug-cc-pVTZ level of theory.
通过在低温下于非质子溶剂中重结晶[FS(OX)][SbF]（X = H，D）合成了质子化二氧化硫盐。使用1,1,1,2 - 四氟乙烷作为溶剂，从溶剂SO和单质子化二氧化硫[OSOD][SbF]中获得了半质子化二氧化硫[(SO)H][SbF]。对于这两种化合物，均获得了单晶并进行了X射线结构分析。此外，通过拉曼光谱对这些盐进行了表征，并结合在M06 - 2X/aug - cc - pVTZ理论水平上的量子化学计算对结果进行了讨论。
