Study of thermodynamic and NMR properties of some cyclohexane derivates
| dc.creator | Gerli Candia, Lorena | |
| dc.creator | Salas, Paulina | |
| dc.creator | Contreras, Guillermo | |
| dc.date | 2015-11-23T17:10:09Z | |
| dc.date | 2015-11-23T17:10:09Z | |
| dc.date | 2011 | |
| dc.identifier | Journal of the Chilean Chemical Society 56 | |
| dc.identifier | 0717-9707 | |
| dc.identifier | http://repositoriodigital.ucsc.cl/handle/25022009/418 | |
| dc.description | Artículo de publicación ISI | |
| dc.description | The preferential conformations of a series of six–membered saturated heterocycles containing oxygen and sulfur atoms, 4-alkyl-6-methyl-1,3-dithiane, with alkyl=methyl, ethyl, propyl, isobuthyl, terbuthyl have been studied by means of ab-initio theoretical methods. The chair conformation is the most stable structure found for all compounds studied here, likewise in its counterparts: cyclohexane, dithiane, and dioxane. The structures show anomalous effects of the chemical shifts, in C2 and C5, due to as C-S → s* C-Hec hyperconjugative interaction. They are also affected by normal Perlin effect in C2, where C2-Hec coupling constants are larger than C2-Hax. | |
| dc.language | en | |
| dc.publisher | Scielo | |
| dc.rights | Atribucion-Nocomercial-SinDerivadas 3.0 Chile | |
| dc.rights | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
| dc.source | http://goo.gl/rlLgD2 | |
| dc.subject | 3- dithiane | |
| dc.subject | Conformational analysis | |
| dc.subject | NMR | |
| dc.title | Study of thermodynamic and NMR properties of some cyclohexane derivates | |
| dc.type | Article |