Preprint Article Version 1 NOT YET PEER-REVIEWED

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

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. Preprints 2017, 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

Readers' Comments and Ratings (0)

Leave a public comment
Send a private comment to the author(s)
Rate this article
Views 0
Downloads 0
Comments 0
Metrics 0
Leave a public comment

×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.