Ionic liquids and microwave irradiation as synergistic combination for polar Diels–Alder reactions using properly substituted heterocycles as dienophiles: A DFT study related
For the DA reactions between nitropyrrole derivatives and isoprene, the combination of microwave irradiation and protic ionic liquid, has a notable synergistic effect. DFT calculations suggest that a supplementary energy ranking in the IR region of 1700-1400 cm-1 can favour the structural changes in...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2012 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/108005 |
| Acceso en línea: | http://hdl.handle.net/11336/108005 |
| Access Level: | acceso abierto |
| Palabra clave: | DIELS-ALDER LIQUIDOS IONICOS https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| Sumario: | For the DA reactions between nitropyrrole derivatives and isoprene, the combination of microwave irradiation and protic ionic liquid, has a notable synergistic effect. DFT calculations suggest that a supplementary energy ranking in the IR region of 1700-1400 cm-1 can favour the structural changes in the reactants to reach the TS. |
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