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The Coordination- and Photochemistry of Copper(I) Complexes: Variation of N^N Ligands from Imidazole to Tetrazole

Abstract

The prediction of coordination modes is of high importance when structure-property relationships are discussed. Herein, the coordination chemistry of copper(I) with pyridine-amines with a varying number of coordinating N-atoms, namely pyridine-benzimidazole, -triazole and -tetrazole, or their deprotonated analogues, and different phosphines was systematically studied and the photoluminescence properties of all synthesized complexes examined and related to DFT data. Each complex was characterized by single-crystal X-ray analysis and elemental analysis, and a set of prediction rules derived for the coordination chemistry of copper(I) with these ligands. A mononuclear cationic coordination motif was found for PPh3 or DPEPhos with all N^N ligands, which exhibits blue to green luminescence of MLCT character d(Cu) → π*(pyridine-amine ligand) with quantum yields up to 46%. With the deprotonated N^N ligands, mononuclear neutral complexes were only expected with DPEPhos. The emission’s nature of this complex type is strongly dependent on the electronic effects of the N^N ligand and was characterized as (ML+IL)CT transition. In contrast to the high quantum yields up to 78% for the tetrazolate complexes (as reported before1), the triazolate and imidazolate based complexes show much lower emission efficiencies below 10%. Besides the mononuclear copper(I) complexes, cluster-type complexes were obtained, which show moderate luminescence in the blue to green region of the visible spectrum (469‒505 nm).

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Publication details

The article was received on 30 Sep 2017, accepted on 30 Nov 2017 and first published on 01 Dec 2017


Article type: Paper
DOI: 10.1039/C7DT03682E
Citation: Dalton Trans., 2017, Accepted Manuscript
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    The Coordination- and Photochemistry of Copper(I) Complexes: Variation of N^N Ligands from Imidazole to Tetrazole

    L. Bergmann, C. Braun, M. Nieger and S. Bräse, Dalton Trans., 2017, Accepted Manuscript , DOI: 10.1039/C7DT03682E

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