Luminescence properties of [Ir(C^N)₂(N^N)]⁺ complexes: relations between DFT computation results and emission band-shape analysis data

Abstract

For two series of [Ir(C^N)2(N^N)]+ luminophores, the computed DFT quantities remain in nice agreement with those available from the emission band-shape analyses.

Synthesis and Characterization of Platinum(IV) Complexes Containing 1‐Phenyl‐1H‐pyrazole and α‐Diimine Ligands

“…Unlike analogous pyrazole Ir III complexes, which are highly efficient room temperature luminophores emitting UV‐VIS radiation at different ranges, [28,29] the synthesized Pt IV complexes are emissive only at a low temperature MeOH/EtOH 1 : 1 matrix. In the case of [Ir(ppz) 2 (N^N)] + complexes, at these experimental conditions, emissions arise from the intraligand transition localized within the N^N ligand (N^N – tmphen, dpphen, dppz) or from the MLCT transitions involving the Ir(C^N) + and N^N moieties (N^N – bpy, phen, dpq).…”

“…For comparison, in the low energy part of UV-VIS spectra of analogous [Ir(ppz) 2 (N^N)] + complexes, the presence of spinallowed MLCT transitions was clearly visible. [28,29]…”

“…Interested in this research topic, we decided to synthesize a series of dicationic [Pt(ppz) 2 (N^N)] 2 + complexes using C-deprotonated 1-phenyl-1H-pyrazole (L = ppz) as cyclometallated ligands and α-diimines (L' = N^N, Scheme 1) with significantly different triplet state energies and their emission properties both at room temperature and in frozen solutions were investigated. Since we had carried out such studies on a similar series of Ir III complexes, [28,29] our aim was also to compare the photophysical properties of these two groups of analogues coordination compounds. Based on previous experience, we had chosen six N^N-type ligands for the studies, which due to their structure and different electron-acceptor character should affect the energy of the lowest triplet excitation state and generate the most distinct changes in the emission properties of the investigated Pt IV complexes.…”

2‐Thiophenyl–Isoquinoline Ir(III) Complex: A Promising Tool in Antipseudomonal Photodynamic Therapy under Red Irradiation

“…cm À 1 ) that could be assigned to the spin allowed metal to ligand charge transfer ( 1 MLCT) and/or the spin forbidden metal to ligand charge transfer ( 3 MLCT) band as proposed in the literature for some close congeners. [33,34] Then, iridium complexes 7 and 8 cyclometallated to piq (L 2) showed absorption in the blue region with λ abs centered at 429 and 438 nm (ɛ of 6 000 M À 1 . cm À 1 for 7 and 5 800 M À 1 .…”