Ab initio (HF/6-31G** and B3LYP/6-31 + + G**) methods have been used to study the stability and structure of complexes between CH3SO-3 and CH3NH3+ or C(NH2)+3. Results show that no hydrogen jump is involved in the complex formations, which is different from previous work studying complexes between CH3COO- and CH3NH+3. In addition, we have studied complexes between CH3SO-3 and HC(NH2)+3 or +H3NC(NH2)3, all of which have a cage structure.
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry