Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model-Reference-Cited by-同舟云学术

Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model

Published:2017 Issue:1 Volume:8 Page:680-688
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Moors Samuel L. C.¹²³⁴,Deraet Xavier¹²³⁴,Van Assche Guy⁵²³⁴^ORCID,Geerlings Paul¹²³⁴,De Proft Frank¹²³⁴

Affiliation:

1. Eenheid Algemene Chemie (ALGC)

2. Vrije Universiteit Brussel (VUB)

3. Brussels

4. Belgium

5. Physical Chemistry and Polymer Science (FYSC)

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.

Funder

Fonds Wetenschappelijk Onderzoek

Vrije Universiteit Brussel

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/SC/C6SC03500K

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