Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model
Open Access
- 1 January 2017
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Science
- Vol. 8 (1), 680-688
- https://doi.org/10.1039/c6sc03500k
Abstract
Electrophilic aromatic sulfonation of benzene with sulfur trioxide is studied with ab initio molecular dynamics simulations in gas phase, and in explicit noncomplexing (CCl3F) and complexing (CH3NO2) solvent models.Keywords
Funding Information
- Fonds Wetenschappelijk Onderzoek (unassigned)
- Vrije Universiteit Brussel (unassigned)
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