Title of article :
Crystal structure of (2,2′-bipyridyl)[2,6-bis(1-butyl-1H-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate
Author/Authors :
Smith, Victoria I. Department of Chemistry - Drexel University, USA , Zeller, Matthias Department of Chemistry - Youngstown State University - One University Plaza, USA , Nozari, Mohammad Department of Chemistry - Drexel University, USA , Addison, Anthony W. Department of Chemistry - Drexel University, USA
Abstract :
The title complex compound, [Ir(C27H29N5)Cl(C10H8N2)](CF3SO3)2, was synthesized for a study of iridium(III)/periodate redox systems in water. The coordination geometry of the complex can be best described as distorted octahedral, with an r.m.s. deviation of 8.8 (8)% from ideal octahedral rectangular geometry. In the crystal, C—H⋯O and C—H⋯F interactions between the complex cation and the trifluoromethanesulfonate anions are observed, as well as a C—H⋯Cl intermolecular interaction between neighboring complex cations. In addition, the benzimidazole ring systems display parallel-displaced π–π stacking with centroid–centroid distances of 3.585 (3)–3.907 (3) Å. One of the two trifluoromethanesulfonate anions is disordered over two orientations with an occupancy ratio of 0.582 (6):0.418 (6). The title complex was characterized using FT–IR, cyclic voltammetry/rotating disc electrode polarography, fluorescence spectrometry, high resolution mass spectrometry, CHN elemental analysis and 1H NMR spectroscopy.
Keywords :
crystal structure , iridium complex , 2,6-bis(N-butylbenzimidazol-2′-yl)pyridine , π–π interactions , 2,2′-bipyridine
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
