Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level

Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level

A mechanism for the sulfonation of methyl esters with sulfur trioxide is proposed herein. Reactions were studied in a falling film reactor and stability of the intermediate species verified by Density Functional Theory calculations at the B3LYP/6-31G(d) level. Mechanistic suppositions and experiment...

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Bibliographic Details
Main Authors: Jesús Alfonso Torres Ortega, Giovanni Morales Medina, José Sánchez Castellanos
Format: Article
Language:Spanish
Published: Universidad Nacional Abierta y a Distancia 2009-08-01
Series:Publicaciones e Investigación
Subjects:
sulfonation
sulfur trioxide
methyl ester
modeling
density functional.
Online Access:http://hemeroteca.unad.edu.co/index.php/publicaciones-e-investigacion/article/view/566

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