Publikationsdatum:
2017-12-14
Beschreibung:
Luminescent cuprous complexes are an important class of coordination compounds due to their relative abundance, low cost and ability to display excellent luminescence. The title ionic trinuclear Cu 3 I 2 complex, tris[μ 2 -diphenyl(pyridin-2-yl)phosphane-κ 2 P : N ]di-μ 3 -iodido-tricopper(I)(3 Cu — Cu ) hexafluoridophosphate, [Cu 3 I 2 (C 39 H 32 NP) 3 ]PF 6 , conventionally abbreviated as [Cu 3 I 2 (Ph 2 PPy) 3 ]PF 6 , is described. Each Cu I atom is coordinated by two μ 3 -iodide ligands and by a P and an N atom from two Ph 2 PPy ligands, giving rise to a CuI 2 PN tetrahedral coordination geometry about each Cu I centre. The electronic absorption and photoluminescence properties of this trinuclear cluster have been studied on as-synthesized samples, which had been examined previously by powder X-ray diffraction. A detailed time-dependent density functional theory (TD–DFT) study was carried out and showed a green emission derived from a halide-to-ligand charge transfer and metal-to-ligand charge transfer 3 ( X + M )LCT excited state. In the ionic trinuclear Cu 3 I 2 complex [Cu 3 I 2 (Ph 2 PPy) 3 ]PF 6 , three μ 2 -bridging Ph 2 PPy ligands strengthen the cluster core. A TD–DFT study demonstrates that the observed yellow phosphorescence should be derived from the emissive 3 ( X + M )LCT excited state.
Print ISSN:
0108-2701
Digitale ISSN:
1600-5759
Thema:
Chemie und Pharmazie
,
Geologie und Paläontologie
,
Physik
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