WHY DIELS-ALDER REACTIONS ARE NON-CONCERTED PROCESSES
Two exhaustive topological analyses using the Electron Localisation Function (ELF) along the non-polar Diels-Alder reactions of 1,3-butadiene [J. Phys. Chem. A107, 6014 (2003)] and cyclopentadiene [Org. Biomol. Chem. 8, 5495, (2010)] with ethylene established that the bonding changes along these rea...
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2014
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| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072014000300019 |
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| Sumario: | Two exhaustive topological analyses using the Electron Localisation Function (ELF) along the non-polar Diels-Alder reactions of 1,3-butadiene [J. Phys. Chem. A107, 6014 (2003)] and cyclopentadiene [Org. Biomol. Chem. 8, 5495, (2010)] with ethylene established that the bonding changes along these reactions are non-concerted. Herein, the ELF bonding changes along the intramolecular Diels-Alder reaction of 1-(hex-5-enyl)cyclohexa-1,3-diene is analysed. The geometrical restrictions imposed by the tether break the synchronicity in the single bond formation in this non-polar reaction. The present ELF topological analysis along this intramolecular Diels-Alder reaction supports the earlier findings that established the non-concerted nature of Diels-Alder reactions. |
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