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

Abstract

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.

Cite this paper

@inproceedings{Shao2017MolecularSL, title={Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Eu (III) β-diketonate Complexes}, author={Haifeng Shao and Yanjun Hou and Jinyuan Bai and Haijun Niu}, year={2017} }