dc.creator | Marín Gómez, Mario | es |
dc.creator | Moreno Díaz, Juan José | es |
dc.creator | Alcaide, María M. | es |
dc.creator | Álvarez González, Eleuterio | es |
dc.creator | López Serrano, Joaquín | es |
dc.creator | Campos Manzano, Jesús | es |
dc.creator | Nicasio Jaramillo, María del Carmen | es |
dc.creator | Carmona Guzmán, Ernesto | es |
dc.date.accessioned | 2023-02-08T18:04:40Z | |
dc.date.available | 2023-02-08T18:04:40Z | |
dc.date.issued | 2019 | |
dc.identifier.citation | Marín 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.issn | 0022-328X | es |
dc.identifier.uri | https://hdl.handle.net/11441/142564 | |
dc.description.abstract | The 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.sponsorship | Ministerio de Ciencia, Innovación y Universidades CTQ2013-42501-P, CTQ2016-75193P, CTQ2014-52769-C3-3-R, CTQ2017-82893-C2-2-R | es |
dc.format | application/pdf | es |
dc.format.extent | 22 p. | es |
dc.language.iso | eng | es |
dc.publisher | Elsevier | es |
dc.relation.ispartof | Journal of Organometallic Chemistry, 896, 120-128. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Bulky phosphine | es |
dc.subject | Buried volume | es |
dc.subject | Ligand parameterization | es |
dc.subject | Selenides | es |
dc.subject | Terphenyl | es |
dc.subject | Tolman | es |
dc.title | Evaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligands | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/submittedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Inorgánica | es |
dc.relation.projectID | CTQ2013-42501-P | es |
dc.relation.projectID | CTQ2016-75193P | es |
dc.relation.projectID | CTQ2014-52769-C3-3-R | es |
dc.relation.projectID | CTQ2017-82893-C2-2-R | es |
dc.relation.publisherversion | https://doi.org/10.1016/j.jorganchem.2019.06.003 | es |
dc.identifier.doi | 10.1016/j.jorganchem.2019.06.003 | es |
dc.journaltitle | Journal of Organometallic Chemistry | es |
dc.publication.volumen | 896 | es |
dc.publication.initialPage | 120 | es |
dc.publication.endPage | 128 | es |
dc.contributor.funder | Ministerio de Ciencia, Innovación y Universidades (MICINN). España | es |