Synthesis, Characterization, and DFT Investigation of Ir^III Tolylterpyridine Complexes

Abstract

Three new polypyridine iridium(III) complexes [Ir III Cl(L)-(tterpy)](PF 6 ) 2 {L = phen (1), dpphen (2), and dmbpy (3) (5) and terpy (6)} were also prepared. Abbreviations of the ligands used here are phen = 1,10-phenanthroline, dpphen = 4,7-diphenyl-1,10-phenanthroline, bpy = 2,2Ј-bipyridine, dmbpy = 4,4Ј-dimethyl-2,2Ј-bipyridine, tterpy = 4Ј-(4-tolyl)-2,2Ј:6Ј,2ЈЈ-terpyridine, and terpy = 2,2Ј:6Ј,2ЈЈ-terpyridine. The syntheses, which were accomplished in typical reaction times of fifteen minutes by using a microwave oven, were easier than a previous method. The complexes were characterized by electrospray mass spectrometry, UV/Vis spectroscopy, and cyclic voltammetry (CV). The X-ray structures of the two complexes 5 and 6 were also obtained. Cyclic voltammograms of all the [Ir III Cl(L)(tterpy)] 2+ complexes showed that the first reduction occurred at around -0.67 V, which is attributed to the re-

Synthesis, structure, DNA-binding properties, and antioxidant activity of copper(II) and cobalt(II) complexes with bis(N-allylbenzimidazol-2-ylmethyl)benzylamine

“…The bond angle of the two atoms (N3-Cu-N5) in axial positions is 163.52 (14)°. Therefore, the geometry around the Cu(II) is a distorted octahedron [41][42][43][44].…”

Homoleptic and heteroleptic complexes of chromium(III) containing 4′-diphenylamino-2,2′:6′,2″-terpyridine ligands

“…The synthesis of related pairs of homoleptic and heteroleptic coplexes containing a {Cr(tpy) 2 [29]. [33]. Each of these metal(III) complexes assembles with the same π-stacked motif shown in Figure 2a [30,34], KAYHIC [35], KEMWEG [36], KUWKOD [37] and QOLYUM [38] …”

Detailed Description of the Metal‐to‐Ligand Charge‐Transfer State in Monoterpyridine IrIII Complexes

“…Recently, we focused on Ir III complexes with terpy, 4Ј-(4-tolyl)-2,2Ј:6Ј,2ЈЈ-terpyridine (tterpy), and/or polypyridine ligands. [17][18][19] These iridium(III) complexes have intense phosphorescences at room temperature and remarkably high quantum yields close to unity. [20] In contrast to the experimental studies, however, theoretical efforts on deep understanding phosphorescent emission seem deficient.…”