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Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level
(Universidad Nacional Abierta y a Distancia, UNAD, 2009-08-14)
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.