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Author | dc.contributor.author | Castañeda, Fernando | |
Author | dc.contributor.author | Silva, Paul | |
Author | dc.contributor.author | Garland, María Teresa | |
Author | dc.contributor.author | Shirazi, Ata | |
Author | dc.contributor.author | Bunton, Clifford A. | |
Admission date | dc.date.accessioned | 2018-12-20T14:12:55Z | |
Available date | dc.date.available | 2018-12-20T14:12:55Z | |
Publication date | dc.date.issued | 2011 | |
Cita de ítem | dc.identifier.citation | Journal of Molecular Structure, Volumen 1004, Issue 1-3, 2018, Pages 284-291 | |
Identifier | dc.identifier.issn | 00222860 | |
Identifier | dc.identifier.other | 10.1016/j.molstruc.2011.08.022 | |
Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/154877 | |
Abstract | dc.description.abstract | Triphenylphosphonium ylidic keto diesters with a nonylidic ester group, Ph3PC(CO2CH2CH3)COCO 2CH2CH3, 1, and Ph3PC(CO 2CH2CH3)COCH2CO2CH 2CH3, 2, have the keto group syn and the ylidic ester acyl group anti to phosphorus. Conformation of 2 is assigned by X-ray crystallography, while conformations of 1 and 2 are based on 1H and 13C NMR spectroscopy, and comparisons of acyl stretching frequencies with predicted values from HF and DFT methods. Thermolyses of 1 and 2 gave the expected acetylene derivatives in high yield, consistent with the syn keto conformation and in agreement with earlier observations of thermolyses of stabilized phosphonium ylides. Results from the X-ray spectrum of 2 confirm the proposed structure. © 2011 Elsevier B.V. All rights reserved. | |
Lenguage | dc.language.iso | en | |
Type of license | dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
Link to License | dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
Source | dc.source | Journal of Molecular Structure | |
Keywords | dc.subject | Ab initio computation | |
Keywords | dc.subject | NMR and acyl stretching frequencies | |
Keywords | dc.subject | Triphenylphosphonium ylides | |
Keywords | dc.subject | Ylidic conformation | |
Título | dc.title | Molecular structures and preferred conformations of stabilized keto diester phosphonium ylides | |
Document type | dc.type | Artículo de revista | |
Cataloguer | uchile.catalogador | SCOPUS | |
Indexation | uchile.index | Artículo de publicación SCOPUS | |
uchile.cosecha | uchile.cosecha | SI | |
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