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

Torres Ortega, Jesús Alfonso; Morales Medina, Giovanni; Sánchez Castellanos, José

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Torres Ortega, Jesús Alfonso

Morales Medina, Giovanni

Sánchez Castellanos, José

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Sello editorial UNAD

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Abstract

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 experimental facts asserted a second order kinetic.    

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https://hemeroteca.unad.edu.co/index.php/publicaciones-e-investigacion/article/view/566/1319

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info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion