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dc.creatorMarín Gómez, Marioes
dc.creatorMoreno Díaz, Juan Josées
dc.creatorAlcaide, María M.es
dc.creatorÁlvarez González, Eleuterioes
dc.creatorLópez Serrano, Joaquínes
dc.creatorCampos Manzano, Jesúses
dc.creatorNicasio Jaramillo, María del Carmenes
dc.creatorCarmona Guzmán, Ernestoes
dc.date.accessioned2023-02-08T18:04:40Z
dc.date.available2023-02-08T18:04:40Z
dc.date.issued2019
dc.identifier.citationMarín Gómez, ., Moreno Díaz, J.J., Alcaide, M.M., Álvarez González, E., López Serrano, J., Campos Manzano, J.,...,Carmona Guzmán, E. (2019). Evaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligands. Journal of Organometallic Chemistry, 896, 120-128. https://doi.org/10.1016/j.jorganchem.2019.06.003.
dc.identifier.issn0022-328Xes
dc.identifier.urihttps://hdl.handle.net/11441/142564
dc.description.abstractThe stereoelectronic properties of a series of sterically hindered phosphines containing a terphenyl substituent, PR2Ar’ (R = alkyl; Ar’ = C6H3-2,6-Ar2), have been evaluated by various methods. Their σ-donating capacity has been assessed on the basis of the carbon monoxide stretching frequencies in benchmark iridium [IrCl(CO)2(PR2Ar’)] and rhodium [Rh(acac)(CO)2(PR2Ar’)] (acac = acetylacetonate) complexes, as well as by measuring 31P–77Se scalar coupling constants (1JSeP) for the corresponding phosphine selenides (Se=PR2Ar’). In turn, the steric profile of terphenyl phosphines has been gauged by calculating Tolman Cone Angle (TCA), ligand shielding (G) and percent buried volume (%VBur) parameters. These calculations have been carried out from both X-ray diffraction and DFT-optimized structures. We have also examined several of the widely used biaryl phosphines for comparative purposes.es
dc.description.sponsorshipMinisterio de Ciencia, Innovación y Universidades CTQ2013-42501-P, CTQ2016-75193P, CTQ2014-52769-C3-3-R, CTQ2017-82893-C2-2-Res
dc.formatapplication/pdfes
dc.format.extent22 p.es
dc.language.isoenges
dc.publisherElsevieres
dc.relation.ispartofJournal of Organometallic Chemistry, 896, 120-128.
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectBulky phosphinees
dc.subjectBuried volumees
dc.subjectLigand parameterizationes
dc.subjectSelenideses
dc.subjectTerphenyles
dc.subjectTolmanes
dc.titleEvaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligandses
dc.typeinfo:eu-repo/semantics/articlees
dcterms.identifierhttps://ror.org/03yxnpp24
dc.type.versioninfo:eu-repo/semantics/submittedVersiones
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.contributor.affiliationUniversidad de Sevilla. Departamento de Química Inorgánicaes
dc.relation.projectIDCTQ2013-42501-Pes
dc.relation.projectIDCTQ2016-75193Pes
dc.relation.projectIDCTQ2014-52769-C3-3-Res
dc.relation.projectIDCTQ2017-82893-C2-2-Res
dc.relation.publisherversionhttps://doi.org/10.1016/j.jorganchem.2019.06.003es
dc.identifier.doi10.1016/j.jorganchem.2019.06.003es
dc.journaltitleJournal of Organometallic Chemistryes
dc.publication.volumen896es
dc.publication.initialPage120es
dc.publication.endPage128es
dc.contributor.funderMinisterio de Ciencia, Innovación y Universidades (MICINN). Españaes

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