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|Type:||Artigo de periódico|
|Title:||NMR and theoretical investigation of the keto-enol tautomerism in cyclohexane-1,3-diones|
da Silva, GVJ
|Abstract:||The keto-enol tautomerization for 4,4-dimethyl-cyclohexane-1,3-dione (1) and for 4-methyl-cyclohexane-1,3-dione (2) was investigated. We observed that one of the possible keto-enolic forms for each compound is more stable than the other and thus was preferentially formed in the keto-enol tautomerism. This study was supported through NMR analysis, geometry optimization calculations and NBO analysis for keto-enolic forms (3 and 4) and (5a,b and 6a,b). (c) 2006 Elsevier B.V. All rights reserved.|
|Editor:||Elsevier Science Bv|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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