[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate
A new triazole-based <i>N</i>-heterocyclic carbene Ir<sup>I</sup> cationic complex with a tetra-fluorido-borate counter-anion and hemi-solvating di-chloro-methane, [Ir(C<sub>8</sub>H<sub>12</sub>)(C<sub>8</sub>H<sub>15</sub>N<sub>3</sub>)(C<sub>18</sub>H<sub>15</sub>P)]BF<sub>4</sub>·0.5CH<sub>2</sub>Cl<sub>2</sub>, 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<sup>I</sup> atom, formed by a bidentate cyclo-octa-1,5,diene (COD) ligand, a tri-phenyl-phosphane ligand, and an <i>N</i>-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<sup>I</sup> 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.
Authors
- Michael R. Gau (ORCID: https://orcid.org/0000-0002-4790-6980)
- Edward Rajaseelan
- Daniel Albert (ORCID: https://orcid.org/0000-0003-4817-3915)
- Timothy G. Lerch (ORCID: https://orcid.org/0009-0000-7159-1336)
Institutions
- Millersville University (US)
- University of Pennsylvania (US)
Publication Details
- Journal
- IUCrData
- Published
- 2024-09-28
- DOI
- https://doi.org/10.1107/s2414314624009416
- Citations
- 1
- Primary Topic
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.25