| dc.creator | Padilla Campos, Luis | |
| dc.creator | Zarate, Ramón A. | |
| dc.date | 2016-12-10 | |
| dc.date.accessioned | 2019-11-13T15:11:32Z | |
| dc.date.available | 2019-11-13T15:11:32Z | |
| dc.identifier | http://www.jcchems.com/index.php/JCCHEMS/article/view/124 | |
| dc.identifier.uri | https://revistaschilenas.uchile.cl/handle/2250/112556 | |
| dc.description | Electronic and structural properties of two polymorphic modifications of 5-hydroxy-7-methoxyflavanone (pinostrobin) were theoretically investigated and compared with experimental crystallographic data. In the literature, four polymorphic modifications of pinostrobin had been reported. The present study has established that only two of them are relevant as they differ only in the position of the methoxy group whereas other structures are derived from the rotation of the phenyl group. Both structures differ in about 1.5 kJ/mol, but the activation energy of methoxy torsion was greater than 16 kJ/mol. In addition, both have similar electronic structures but it was established with slight differences in reactivity. | en-US |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.publisher | Sociedad Chilena de Química | en-US |
| dc.relation | http://www.jcchems.com/index.php/JCCHEMS/article/view/124/109 | |
| dc.rights | Copyright (c) 2017 Luis Padilla Campos, Ramón A. Zarate | en-US |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/4.0 | en-US |
| dc.source | Journal of the Chilean Chemical Society; Vol 61 No 4 (2016): Journal of the Chilean Chemical Society | en-US |
| dc.source | 0717-9707 | |
| dc.source | 0717-9324 | |
| dc.subject | Pinostrobin | en-US |
| dc.subject | Structural parameters | en-US |
| dc.subject | Electronic structure | en-US |
| dc.subject | Theoretical calculations | en-US |
| dc.title | ELECTRONIC AND STRUCTURAL PROPERTIES OF 5-HYDROXY-7-METOXYFLAVANONE: A THEORETICAL APPROACH | en-US |
| dc.type | info:eu-repo/semantics/article | |
| dc.type | info:eu-repo/semantics/publishedVersion | |
