Academic Journal
Evaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligands
| العنوان: | Evaluating stereoelectronic properties of bulky dialkylterphenyl phosphine ligands |
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| المؤلفون: | Marín, Mario, Moreno, Juan J., Alcaide, María, Álvarez, Eleuterio, López-Serrano, Joaquín, Campos, Jesús, Nicasio, M. Carmen, Carmona, Ernesto |
| بيانات النشر: | Elsevier BV |
| سنة النشر: | 2019 |
| المجموعة: | Digital.CSIC (Consejo Superior de Investigaciones Científicas / Spanish National Research Council) |
| مصطلحات موضوعية: | Bulky phosphine, Ligand parameterization, Tolman, Selenides, Buried volume, Terphenyl |
| الوصف: | The stereoelectronic properties of a series of sterically hindered phosphines containing a terphenyl substituent, PRAr’ (R = alkyl; Ar’ = CH-2,6-Ar), 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)(PRAr’)] and rhodium [Rh(acac)(CO)(PRAr’)] (acac = acetylacetonate) complexes, as well as by measuring P–Se scalar coupling constants (J) for the corresponding phosphine selenides (Se=PRAr’). In turn, the steric profile of terphenyl phosphines has been gauged by calculating Tolman Cone Angle (TCA), ligand shielding (G) and percent buried volume (%V) 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. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| تدمد: | 0022-328X |
| Relation: | Postprint; http://dx.doi.org/10.1016/j.jorganchem.2019.06.003; Sí; Journal of Organometallic Chemistry: 120- 128 (2019); http://hdl.handle.net/10261/204270 |
| DOI: | 10.1016/j.jorganchem.2019.06.003 |
| الاتاحة: | http://hdl.handle.net/10261/204270 https://doi.org/10.1016/j.jorganchem.2019.06.003 |
| Rights: | open |
| رقم الانضمام: | edsbas.5D17C82B |
| قاعدة البيانات: | BASE |
| تدمد: | 0022328X |
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| DOI: | 10.1016/j.jorganchem.2019.06.003 |