Electrophilicity of quinones and its relationship with hydride affinity
Abstract
In this Letter we show that the electrophilicity index assesses well the hydride affinity (HA) order of quinones established for a limited number of cases experimentally observed. Further comparisons with predicted HA values for a larger data base suggest that both the electrophilicity index and HA are tightly related quantities. Furthermore, electrophilic activation/deactivation patterns induced by electron-withdrawing and electron-donating groups may be consistently accounted for by the model. These results open the possibility of predicting HA for quinones not evaluated experimentally up to date. © 2009 Elsevier B.V. All rights reserved.
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| Título según WOS: | Electrophilicity of quinones and its relationship with hydride affinity |
| Título según SCOPUS: | Electrophilicity of quinones and its relationship with hydride affinity |
| Título de la Revista: | CHEMICAL PHYSICS LETTERS |
| Volumen: | 471 |
| Número: | 01-mar |
| Editorial: | Elsevier |
| Fecha de publicación: | 2009 |
| Página de inicio: | 168 |
| Página final: | 173 |
| Idioma: | English |
| URL: | http://linkinghub.elsevier.com/retrieve/pii/S0009261409001699 |
| DOI: |
10.1016/j.cplett.2009.02.015 |
| Notas: | ISI, SCOPUS |