[(1,2,5,6-η)-Cyclo-octa-1,5-diene](1-ethyl-4-iso-butyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phosphane)iridium(I) tetra-fluorido-borate di-chloro-methane hemisolvate

A new triazole-based -heterocyclic carbene Ir cationic complex with a tetra-fluorido-borate counter-anion and hemi-solvating di-chloro-methane, [Ir(C H )(C H N )(C H P)]BF ·0.5CH Cl , has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and...

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Veröffentlicht in:IUCrData 2024-09, Vol.9 (Pt 9), p.x240941
Hauptverfasser: Lerch, Timothy G, Gau, Michael, Albert, Daniel R, Rajaseelan, Edward
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Albert, Daniel R
Rajaseelan, Edward
description A new triazole-based -heterocyclic carbene Ir cationic complex with a tetra-fluorido-borate counter-anion and hemi-solvating di-chloro-methane, [Ir(C H )(C H N )(C H P)]BF ·0.5CH Cl , has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one di-chloro-methane solvent mol-ecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the Ir atom, formed by a bidentate cyclo-octa-1,5,diene (COD) ligand, a tri-phenyl-phosphane ligand, and an -heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding inter-actions that orient the tetra-fluorido-borate anions with respect to the Ir complex mol-ecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD mol-ecules is statistically disordered.
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title [(1,2,5,6-η)-Cyclo-octa-1,5-diene](1-ethyl-4-iso-butyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phosphane)iridium(I) tetra-fluorido-borate di-chloro-methane hemisolvate
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