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

dc.creator	Torres Ortega, Jesús Alfonso
dc.creator	Morales Medina, Giovanni
dc.creator	Sánchez Castellanos, José
dc.date	2009-08-14
dc.date.accessioned	2022-02-22T20:00:25Z
dc.date.available	2022-02-22T20:00:25Z
dc.identifier	https://hemeroteca.unad.edu.co/index.php/publicaciones-e-investigacion/article/view/566
dc.identifier	10.22490/25394088.566
dc.identifier.uri	https://repository.unad.edu.co/handle/10596/47010
dc.description	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.	es-ES
dc.format	application/pdf
dc.language	spa
dc.publisher	Sello editorial UNAD	es-ES
dc.relation	https://hemeroteca.unad.edu.co/index.php/publicaciones-e-investigacion/article/view/566/1319
dc.rights	Derechos de autor 2009 Publicaciones e Investigación	es-ES
dc.source	Publicaciones e Investigación; Vol. 3 (2009); 29-35	en-US
dc.source	Publicaciones e Investigación; Vol. 3 (2009); 29-35	es-ES
dc.source	2539-4088
dc.source	1900-6608
dc.subject	sulfonation	es-ES
dc.subject	sulfur trioxide	es-ES
dc.subject	methyl ester	es-ES
dc.subject	modeling	es-ES
dc.subject	density functional.	es-ES
dc.title	Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level	es-ES
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/publishedVersion