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.
Keywords
TFT; complexes; luminescent; synthesis; Density functional theory (DFT)-computation
Subject
CHEMISTRY, Organic Chemistry
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.
