An Unusual Anion-pi Interaction in an Irido Organometallic Assembly: Synthesis, First Crystal Structure, and Computational Study

作者：Moussa Jamal; Gandon Vincent; Rager Marie Noelle; Malacria Max; Chamoreau Lise Marie; Amouri Hani^*

来源：European Journal of Inorganic Chemistry, 2009, 2009(25): 3703-3707.

DOI：10.1002/ejic.200900497

• Reactive intermediates
• Pi interactions
• Boron
• Iridium
• Density functional calculations
• Arene ligands

The organometallic assembly [Cp*Ir(eta(6)-C(6)H(2)O(4))(BF(2))(2)-(CF(3)SO(3))][CP*Ir(mu-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)center dot 2H(2)O. Assembly 3 was fully characterized by multinuclear NMR spectroscopy. Remarkably, the X-ray molecular structure of 3 shows that an anion-pi interaction occurs between the neutral component Cp*Ir(eta(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(mu-CI)(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.

• 出版日期2009-9