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Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands

Abstract

A series of new mononuclear and dinuclear copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands have been synthesized and characterized, in which functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole adopts neutral mono- and bis-chelating coordination modes and mono-anionic bis-chelating binding manner due to the 1,2,4-triazolyl-NH deprotonation. All these Cu(I) complexes display a relatively weak low-energy absorption in CH2Cl2 solution, ascribed to the charge-transfer transitions with appreciable MLCT character, as suggested by TD-DFT analyses. These Cu(I) complexes are all emissive in solution and solid states at ambient temperature, and their luminescence properties can be well modulated via the addition of the second {Cu(PPh3)2} unit and modification of 3-(2′-pyrimidinyl)-1,2,4-triazole involving the N–H deprotonation and the substituent variation of the 1,2,4-triazolyl ring. It is also demonstrated that introducing the trifluoromethyl group into the 1,2,4-triazolyl ring is helpful for enhancing the solid-state luminescence properties of the 1,2,4-triazole-based Cu(I) complexes, whereas the introduction of the tert-butyl group into the 1,2,4-triazolyl ring, the 1,2,4-triazolyl-NH deprotonation, and the use of the pyrimidinyl ring instead of the pyridyl ring are all unfavorable.

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Publication details

The article was received on 02 Aug 2017, accepted on 06 Sep 2017 and first published on 06 Sep 2017


Article type: Paper
DOI: 10.1039/C7DT02848B
Citation: Dalton Trans., 2017, Accepted Manuscript
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    Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands

    J. Chen, X. Zeng, Y. Luo, W. Wang, L. He, S. Liu, H. Wen, W. (. Wong and S.P. Huang, Dalton Trans., 2017, Accepted Manuscript , DOI: 10.1039/C7DT02848B

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