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Materials
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Crystal Structure, Thermal and Spectral Studies of Coordination Compounds
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Crystal Structure, Thermal and Spectral Studies of Coordination Compounds

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Optical and Photonic Materials".

Deadline for manuscript submissions: closed (20 September 2023) | Viewed by 3502

Special Issue Editors

Prof. Dr. Beata Cristóvao

E-Mail Website
Guest Editor
Maria Curie-Sklodowska University in Lublin, Lublin, Poland
Interests: coordination chemistry; homo- and heteronuclear complexes; Schiff base ligands; thermal analysis; magnetic properties; crystal structure; infrared spectroscopy; 3d/4d-4f metal ions compunds
Special Issues, Collections and Topics in MDPI journals
Dr. Agata Bartyzel

E-Mail Website
Co-Guest Editor
Maria Curie-Sklodowska University in Lublin, Lublin, Poland
Interests: coordination chemistry; X-ray crystallography; UV-VIS spectroscopy; infrared spectroscopy; thermal analysis; transition metal organic compounds; Schiff base complexes
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue is devoted to the synthesis and characterisation of metal complexes.  The coordination compounds of transition or/and lanthanide ions with different ligands have potential applications in various fields, such as catalysis, pharmacy, adsorption,  luminescence, fluorescence, magnetic material, bioinorganic, and analytical chemistry. Many of the properties of metal complexes are dictated by their structures, and the structural information provided by X-ray crystallography has been a cornerstone of coordination chemistry research. X-ray analysis is often complemented by other methods, especially thermal and spectroscopic analysis. Thermal analysis provides information about the physical and chemical transformations that occur while heating a substance. These techniques can be applied to identify various material properties such as dehydration, desolvation, decomposition, heterogeneous catalysis, purity, adsorption, chemisorption, crystallization, melting, and crystal transition. Spectroscopy is also a suitable and very useful tool for the analysis of complexes, as it is versatile and uses relatively rapid instrumental techniques that only require a small amount of sample.

We kindly invite all researchers working in the field of coordination chemistry to share their interesting experimental results with the chemical community. The topics of the papers to be submitted to this Special Issue are defined, but not limited, by the keywords presented below.

Prof. Dr. Beata Cristóvão
Guest Editor

Dr. Agata Bartyzel
Co-Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • coordination compounds
  • coordination polymers
  • metal complexes
  • crystal structure, spectral and/or thermal studies
  • X-ray analysis
  • thermal analysis techniques
  • spectral analysis techniques

Published Papers (3 papers)

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Research

17 pages, 33833 KiB  
Article
Influence of Accidental Impurities on the Spectroscopic and Luminescent Properties of ZnWO4 Crystal
by Kirill Subbotin, Anatolii Titov, Victoria Solomatina, Andrew Khomyakov, Ekaterina Pakina, Viktor Yakovlev, Damir Valiev, Marina Zykova, Kristina Kuleshova, Yana Didenko, Denis Lis, Mikhail Grishechkin, Sergei Batygov, Sergei Kuznetsov and Igor Avetissov
Materials 2023, 16(7), 2611; https://doi.org/10.3390/ma16072611 - 25 Mar 2023
Viewed by 1143
Abstract
Special techniques for deep purification of ZnO and WO3 have been developed in this work. A ZnWO4 single crystal has been grown by the Czochralski method using purified ZnO and WO3 chemicals, along with the ZnWO4 crystal-etalon, which has [...] Read more.
Special techniques for deep purification of ZnO and WO3 have been developed in this work. A ZnWO4 single crystal has been grown by the Czochralski method using purified ZnO and WO3 chemicals, along with the ZnWO4 crystal-etalon, which has been grown at the same conditions using commercially available 5N ZnO and WO3 chemicals. The actual accidental impurities compositions of both the initial chemicals and the grown crystals have been measured by inductively coupled plasma mass-spectrometry. A complex of comparative spectroscopic studies of the crystals has been performed, including optical absorption spectra, photo-, X-ray-, and cathodoluminescence spectra and decay kinetics, as well as the photoluminescence excitation spectra. The revealed differences in the measured properties of the crystals have been analyzed in terms of influence of the accidental impurities on these properties. Full article
(This article belongs to the Special Issue Crystal Structure, Thermal and Spectral Studies of Coordination Compounds)
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18 pages, 1711 KiB  
Article
The Use of Hybrid Genetic Algorithm in the Kinetic Analysis of Thermal Decomposition of [Ni(C2H8N2)3](ClO4)2 with Overlapping Stages
by Kirill A. Dmitruk, Oksana V. Komova, Alexander A. Paletsky, Andrey G. Shmakov, Svetlana A. Mukha, Vladislav R. Butenko, Alena A. Pochtar and Olga V. Netskina
Materials 2023, 16(1), 90; https://doi.org/10.3390/ma16010090 - 22 Dec 2022
Cited by 1 | Viewed by 1222
Abstract
This work describes the mathematical modeling of the thermal decomposition of the complex compound [Ni(En)3](ClO4)2 (En = C2H8N2 = ethylenediamine) in an inert atmosphere under non-isothermal conditions. This process is characterized by several [...] Read more.
This work describes the mathematical modeling of the thermal decomposition of the complex compound [Ni(En)3](ClO4)2 (En = C2H8N2 = ethylenediamine) in an inert atmosphere under non-isothermal conditions. This process is characterized by several simultaneous and intense stages: elimination of ethylenediamine from the nickel coordination sphere, decomposition of perchlorate anions, and explosive-like oxidation of free or bound ethylenediamine. These stages overlap and merge into a one step on the differential thermogravimetric curve. Typically, this curve is modeled as a one-stage process during kinetic analysis. In this paper, for the first time, the data from the dynamic mass-spectral thermal analysis and thermogravimetric analysis were modeled using the hybrid genetic algorithm, and the results were compared. A two-stage scheme of [Ni(En)3](ClO4)2 thermolysis was proposed and the kinetic parameters for each stage were obtained. It was shown that the decomposition of [Ni(En)3](ClO4)2 begins with the elimination of one molecule of ethylenediamine (stage A), then the perchlorate anions quickly decompose with the evolution of oxygen (stage B). We believe that the resulting ClO4−x− (x = 1–3), as stronger oxidizing agents, instantly start an explosive-like exothermic process of ethylenediamine oxidation (stage B). Full article
(This article belongs to the Special Issue Crystal Structure, Thermal and Spectral Studies of Coordination Compounds)
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16 pages, 3526 KiB  
Article
New Heterotrinuclear CuIILnIIICuII (Ln = Ho, Er) Compounds with the Schiff Base: Syntheses, Structural Characterization, Thermal and Magnetic Properties
by Beata Cristóvão, Dariusz Osypiuk and Agata Bartyzel
Materials 2022, 15(12), 4299; https://doi.org/10.3390/ma15124299 - 17 Jun 2022
Cited by 1 | Viewed by 1500
Abstract
New heterotrinuclear complexes with the general formula [Cu2Ln(H2L)(HL)(NO3)2]·MeOH (Ln = Ho (1), Er (2), H4L = N,N′-bis(2,3-dihydroxybenzylidene)-1,3-diaminopropane) were synthesized using compartmental Schiff base ligand in conjugation [...] Read more.
New heterotrinuclear complexes with the general formula [Cu2Ln(H2L)(HL)(NO3)2]·MeOH (Ln = Ho (1), Er (2), H4L = N,N′-bis(2,3-dihydroxybenzylidene)-1,3-diaminopropane) were synthesized using compartmental Schiff base ligand in conjugation with auxiliary ligands. The compounds were characterized by elemental analysis, ATR-FTIR spectroscopy, X-ray diffraction, TG, DSC, TG-FTIR and XRD analysis. The N2O4 salen-type ligand coordinates 3d and 4f metal centers via azomethine nitrogen and phenoxo oxygen atoms, respectively, to form heteropolynuclear complexes having CuO2Ln cores. In the crystals 1 and 2, two terminal Cu(II) ions are penta-coordinated with a distorted square-pyramidal geometry and a LnIII ion with trigonal dodecahedral geometry is coordinated by eight oxygen atoms from [CuII(H2L)(NO3)]− and [CuII(HL)(NO3)]2− units. Compounds 1 and 2 are stable at room temperature. During heating, they decompose in a similar way. In the first decomposition step, they lose solvent molecules. The exothermic decomposition of ligands is connected with emission large amounts of gaseous products e.g., water, nitric oxides, carbon dioxide, carbon monoxide. The final solid products of decomposition 1 and 2 in air are mixtures of CuO and Ho2O3/Er2O3. The measurements of magnetic susceptibilities and field dependent magnetization indicate the ferromagnetic interaction between CuII and HoIII ions 1. Full article
(This article belongs to the Special Issue Crystal Structure, Thermal and Spectral Studies of Coordination Compounds)
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