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|Type:||Artigo de periódico|
|Title:||The chemical reactivity of some terpenes investigated by alumina catalyzed epoxidation with hydrogen peroxide and by DFT calculations|
|Abstract:||The selectivity of the alumina catalyzed epoxidation of (S)-limonene, citronelal, citral, citronelol and (1S)-(alpha)-pinene with aqueous 70 wt% and anhydrous 24 wt% hydrogen peroxide is described. DFT molecular orbital calculations were used aiming at a better understanding of the reactivity of these terpenes. The more nucleophilic carbon-carbon double bond, which has a higher molecular orbital energy, is preferentially epoxidized (site-selectivity). Furthermore, a preference for epoxidation in competition with other possible reactions is observed for citronelal, citral, citronelol and (IS)-(alpha)-pinene (chemo-selectivity). Nonetheless, we were not able to achieve a stereo-selective epoxidation of the terpenes using alumina and hydrogen peroxide. (c) 2006 Elsevier B.V. All rights reserved.|
|Editor:||Elsevier Science Bv|
|Citation:||Journal Of Molecular Catalysis A-chemical. Elsevier Science Bv, v. 252, n. 41671, n. 186, n. 193, 2006.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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