Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model
نویسندگان
چکیده
منابع مشابه
Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc03500k Click here for additional data file.
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. We investigate different possible reaction pathways, the number of SO3 molecules participating in the reaction, and the influence of the solvent. Our simulations confirm the existen...
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ژورنال
عنوان ژورنال: Chemical Science
سال: 2017
ISSN: 2041-6520,2041-6539
DOI: 10.1039/c6sc03500k