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Original Research ARTICLE Provisionally accepted The full-text will be published soon. Notify me

Front. Chem. | doi: 10.3389/fchem.2019.00260

Synthesis, Thermal, Structural Analyses and Photoluminescent Properties of a New Family of Malonate-containing Lanthanide(III) Coordination Polymers

 Sajjad Hussain1*,  Xuenian Chen1, William T. Harrison2,  Saeed Ahmad3,  Mark .. .Elsegood4, Islam U. khan5 and  Shabbir Muhammad6
  • 1School of Chemistry and Chemical Engineering, Henan Normal University, China
  • 2Department of chemistry, University of Aberdeen, United Kingdom
  • 3Department of Chemistry, College of Sciences and Humanities, Prince Sattam Bin Abdulaziz University, Saudi Arabia
  • 4Chemistry Department, Loughborough University, United Kingdom
  • 5Government College University, Pakistan
  • 6Department of Physics, College of Science,, King Khalid University, Saudi Arabia

Five new Lanthanide(III) complexes of malonic acid (HOOC-CH2-COOH); {[Gd(C3H2O4)(H2O)4]•NO3}n (1), {[Tb(C3H2O4)(H2O)4]•NO3}n (2),{[Ho(C3H2O4)(H2O)4]•NO3}n (3), [Er(C3H2O4)(C3H3O4)(H2O)2]n (4) and {[Eu2(C3H2O4)2(C3H3O4)2(H2O)6]•4H2O}n (5) are synthesized and characterized by elemental, infrared spectral and thermal analyses. The structures of compounds 1-5 are determined by single crystal X-ray diffraction technique. The X-ray analysis reveals that compounds 1, 2 and 3 are isostructural and crystallized in the orthorhombic space group Pmn21. The lanthanide(III) ions are coordinated by four carboxylate and four water oxygen atoms adopting a distorted square antiprism geometry. The LnO8 square antiprisms are linked into infinite layers by malonate (C3H2O42–) dianions sandwiching sheets of nitrate counter ions. Compound 4 contains ErO8 square antiprisms linked into a two-dimensional network by hydrogen malonate (C3H3O4–) anions and malonate dianions. The europium complex, 5 is dinuclear having the two europium(III) ions (Eu1 and Eu2) bridged by carboxylate groups of hydrogen malonate ligands. The europium ions in 5 are nine-coordinate and exhibit a distorted monocapped square antiprism geometry. All the structures are consolidated by O–H∙∙∙O hydrogen bonds. The photoluminescence spectra of 1-5 exhibit characteristics emission in the visible region. The IR spectra and thermal data are consistent with the structural results. The room-temperature effective magnetic moments for 1–4 are in good agreement with those expected for the free ions, while the data for 5 indicates that low-lying excited states contribute to the observed moment. The compound 1 was further subjected to quantum computational calculations to explore its optoelectronic properties including; density of states (DOS), dielectric function, refractive index, extinction coefficient and absorption spectrum, to highlight the possible applications of such materials in the optoelectronics.

Keywords: lanthanides, malonate, Photoluminescence, crystal structure, optoelectronic properties

Received: 27 Jan 2019; Accepted: 01 Apr 2019.

Edited by:

Luís D. Carlos, University of Aveiro, Portugal

Reviewed by:

Sidney J. Ribeiro, São Paulo State University, Brazil
Helene Serier-Brault, UMR6502 Institut des Matériaux Jean Rouxel (IMN), France  

Copyright: © 2019 Hussain, Chen, Harrison, Ahmad, .Elsegood, khan and Muhammad. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

* Correspondence: Dr. Sajjad Hussain, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, China,