Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states

Salvatella, L. (Universidad de Zaragoza)

Resumen: Several systems formed by two allyl fragments linked by four arenediyl tethers have been studied through DFT calculations. A delocalised bis(allyl) system, similar to Cope rearrangement transition states, is preferred for derivatives bearing 5-membered ring tethers, as a result of the large strain in the related localised geometry

Idioma: Inglés

DOI: 10.1039/c4ra16381h

Año: 2015

Publicado en: RSC Advances 5, 15 (2015), 11494-11497
ISSN: 2046-2069

Factor impacto JCR: 3.289 (2015)

Categ. JCR: CHEMISTRY, MULTIDISCIPLINARY rank: 48 / 163 = 0.294 (2015) - Q2 - T1

Factor impacto SCIMAGO: 0.947 - Chemistry (miscellaneous) (Q1) - Chemical Engineering (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/DGA/E11
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2011-28124

Tipo y forma: Article (Published version)

Área (Departamento): Área Química Orgánica (Dpto. Química Orgánica)