Version 1
: Received: 5 January 2017 / Approved: 6 January 2017 / Online: 6 January 2017 (09:47:23 CET)
How to cite:
Shao, H.; Hou, Y.; Bai, J.; Niu, H. Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes. Preprints2017, 2017010031 (doi: 10.20944/preprints201701.0031.v1).
Shao, H.; Hou, Y.; Bai, J.; Niu, H. Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes. Preprints 2017, 2017010031 (doi: 10.20944/preprints201701.0031.v1).
Cite as:
Shao, H.; Hou, Y.; Bai, J.; Niu, H. Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes. Preprints2017, 2017010031 (doi: 10.20944/preprints201701.0031.v1).
Shao, H.; Hou, Y.; Bai, J.; Niu, H. Molecular Structure, Luminescent and DFT Computational Studies of Two Novel Europium(III) β-diketonate Complexes. Preprints 2017, 2017010031 (doi: 10.20944/preprints201701.0031.v1).
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.
Subject Areas
TFT; complexes; luminescent; synthesis; Density functional theory (DFT)-computation
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Haifeng Shao
