| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395101 | Computational and Theoretical Chemistry | 2011 | 9 Pages |
Abstract
⺠Esterification of acrylic acid with alcohols and the side reactions were studied at the B3LYP/6-31G** level. ⺠The activation barriers for esterification decrease significantly in presence of the H+ ion. ⺠The lowest activation barrier of the side reaction is for acrylic acid addition to acrylates double bond. ⺠The additions of water and alcohols to acrylates are the next easily occurring side reactions. ⺠Acrylic acid dimerisation and addition of alcohol to the dimer proceed through higher activation barriers.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
SÅawomir Ostrowski, MaÅgorzata E. Jamróz, Jan Cz. Dobrowolski,