Cargando…
The mechanisms of isobutene hydration yielding tert-butanol catalyzed by a strong mineral acid (H(2)SO(4)) and Lewis-Brønsted superacid (HF/SbF(5))
The mechanism of the (CH(3))(2)CCH(2)+H(2)O→(CH(3))(3)COH reaction catalyzed by two strong acids (H(2)SO(4) and HSbF(6)) was investigated theoretically using the ab initio MP2 and CCSD(T) methods and the aug-cc-pVDZ/LANL2DZ and aug-cc-pVTZ/LANL2DZ basis sets. The effects of surrounding solvent molec...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6667991/ https://www.ncbi.nlm.nih.gov/pubmed/31388578 http://dx.doi.org/10.1016/j.heliyon.2019.e02133 |