An Unusual Anion–π Interaction in an ;rido Organometallic Assembly: Synthesis, First Crystal Structure, and Computational Study
✍ Scribed by Jamal Moussa; Vincent Gandon; Marie Noelle Rager; Max Malacria; Lise-Marie Chamoreau; Hani Amouri
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 360 KB
- Volume
- 2009
- Category
- Article
- ISSN
- 1434-1948
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✦ Synopsis
Abstract
The organometallic assembly [Cp*Ir(η^6^‐C~6~H~2~O~4~)(BF~2~)~2~(CF~3~SO~3~)][Cp*Ir(μ‐Cl)~3~IrCp*] (3) was prepared from [Cp*Ir(solvent)~3~][OTf]~2~ (2) and 1,2,4,5 tetrahydroxybenzene (THB, 1) in acetone, in the presence of an excess amount of BF~3~·2H~2~O. Assembly 3 was fully characterized by multinuclear NMR spectroscopy. Remarkably, the X‐ray molecular structure of 3 shows that an anion–π interaction occurs between the neutral component Cp*Ir(η^6^‐C~6~H~2~O~4~)(BF~2~)~2~ of the assembly and the CF~3~SO~3~ anion of the cationic species [Cp*Ir(μ‐Cl)~3~IrCp*]. Computational analysis was carried out on 3 to unravel the nature of this noncovalent interaction. Such an example could serve as a model to explain the important role of anions in organometallic chemistry and asymmetric catalysis. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)