DOI | Trouver le DOI : https://doi.org/10.1021/om010352u |
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Auteur | Rechercher : Kahlal, Samia; Rechercher : Wang, Wenbin1; Rechercher : Scoles, Ludmila1; Rechercher : Udachin, Konstantin A.1; Rechercher : Saillard, Jean-Yves; Rechercher : Carty, Arthur1 |
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Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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Format | Texte, Article |
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Résumé | The X-ray molecular structure of Ru4(CO)12(-PF2)(4-P) exhibits a rather open Ru4 butterfly with no Ru-Ru bond along the butterfly hinge, which is bridged by a -PF2 ligand. The 4-P atom unsymmetrically bridges the Ru4 butterfly with two very different Ru-P-Ru angles: 148.71(15) and 95.43(10). The peculiar coordination mode of the 4-P atom raises the question of how many electrons (three or five) it gives to the metal framework. DFT calculations on the [Ru4(CO)12(-PF2)(4-P)]2-/0/2+ series indicate that the phosphorus atom is better described as being a three-electron donor. Its unexpected pyramidalization is the result of atomic size and of the pinch effect of the -PF2 ligand. The bonding in this cluster has been analyzed and compared to that of the related series [Ru4(CO)12(-PF2)(4-N)]0/2+ and the [M4(CO)12(4-E)]-/3- (M = Fe, Ru; E = N, P). A very good agreement between the optimized geometries and the available X-ray data is observed. |
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Date de publication | 2001-10-29 |
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Dans | |
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Langue | anglais |
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Numéro NPARC | 12337960 |
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Exporter la notice | Exporter en format RIS |
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Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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Identificateur de l’enregistrement | f06595d7-f809-4615-8f3c-72d15a82a2f9 |
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Enregistrement créé | 2009-09-10 |
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Enregistrement modifié | 2020-03-27 |
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