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Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model
Electrophilic aromatic sulfonation of benzene with sulfur trioxide is studied with ab initio molecular dynamics simulations in gas phase, and in explicit noncomplexing (CCl(3)F) and complexing (CH(3)NO(2)) solvent models. We investigate different possible reaction pathways, the number of SO(3) molec...
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| Publicado no: | Chem Sci |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5297940/ https://ncbi.nlm.nih.gov/pubmed/28451217 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6sc03500k |
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