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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...
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| Publicado no: | Heliyon |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6667991/ https://ncbi.nlm.nih.gov/pubmed/31388578 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2019.e02133 |
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