| DOI | Resolve DOI: https://doi.org/10.1021/om010352u |
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| Author | Search for: Kahlal, Samia; Search for: Wang, Wenbin1; Search for: Scoles, Ludmila1; Search for: Udachin, Konstantin A.1; Search for: Saillard, Jean-Yves; Search for: Carty, Arthur1 |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Abstract | 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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| Publication date | 2001-10-29 |
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| In | |
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| Language | English |
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| NPARC number | 12337960 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | f06595d7-f809-4615-8f3c-72d15a82a2f9 |
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| Record created | 2009-09-10 |
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| Record modified | 2020-03-27 |
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