Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes

Haifeng Shao; Yanjun Hou; Jinyuan Bai; Haijun Niu

doi:10.20944/preprints201701.0031.v1

Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 5 January 2017 / Approved: 6 January 2017 / Online: 6 January 2017 (09:47:23 CET)

In this paper, the synthesis of two novel luminescent Eu3+ ion complexes [Eu(TFT)3(phen) (1) and Eu(TFT)3(bpy)•Hex (2)] based on the combination of 2-(2,2,2-trifluoroethyl)-1-tetralone (TFT), containing n-donor ligands (1,10-phenanthroline or 2,2'-Bipyridine) and Eu3+ ion is reported herein, and their structural features are discussed on the basis of X-ray crystallographic and thermal analyses. We observed that the ligands transfer energy effectively to the metal center by fluorescence, IR and UV spectrograms studies. The structures and properties of complexes 1-2 were optimized by the DFT theoretical calculation, and the calculation results were consistent with the experimental X-ray structure data and spectral analysis.

TFT; complexes; luminescent; synthesis; Density functional theory (DFT)-computation

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Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes

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