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A theoretical study on the basicity of carbonyl compounds in CCl4
Abstract
The basicity of 21 carbonyl compounds, measured in CCl4 in the presence of 4-fluorophenol as reference, was interpreted in terms of two theoretical descriptors, the global energy of protonation ?E and the charge variation on the oxygen atom ?qO, calculated with a hybrid DFT method (B3LYP/6-31G(d)). © 2002 Elsevier Science Ltd. All rights reserved.
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| Título según WOS: | A theoretical study on the basicity of carbonyl compounds in CCl4 |
| Título según SCOPUS: | A theoretical study on the basicity of carbonyl compounds in CCl4 |
| Título de la Revista: | TETRAHEDRON |
| Volumen: | 58 |
| Número: | 25 |
| Editorial: | PERGAMON-ELSEVIER SCIENCE LTD |
| Fecha de publicación: | 2002 |
| Página de inicio: | 5141 |
| Página final: | 5145 |
| Idioma: | English |
| URL: | http://linkinghub.elsevier.com/retrieve/pii/S004040200200457X |
| DOI: |
10.1016/S0040-4020(02)00457-X |
| Notas: | ISI, SCOPUS |