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Chalcogenides: New Developments and Cutting-Edge Applications

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Inorganic Chemistry".

Deadline for manuscript submissions: closed (29 February 2020) | Viewed by 7714

Special Issue Editors


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Guest Editor
Institut für Anorganische und Analytische Chemie, Friedrich-Schiller-Universität Jena, Humboldt Str. 8, 07743 Jena, Germany
Interests: coordination chemistry with sulfur, selenium, and tellurium ligands; [FeFe]-hydrogenase mimics; electrocatalytic and photocatalytic H2 evolution; metal-containing antiproliferative compounds; prebiotic chemistry
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Guest Editor
Laboratory of Inorganic Chemistry, Environmental and Chemical Engineering, University of Oulu, P.O. Box 3000, FI-90014 Oulu, Finland
Interests: sulfur, selenium, tellurium; synthetic chemistry; X-ray diffraction; NMR spectroscopy; vibrational spectroscopy; computational chemistry; molecular modeling

Special Issue Information

Dear Colleagues,

Chalcogen elements sulfur, selenium, and tellurium play a significant role in inorganic and organic chemistry, as well as in biochemistry. Many chalcogen compounds have assisted in understanding the relationships between the molecular and electronic structures of the compounds and correlating them with the properties observed in the bulk materials. Many sulfur, selenium, and tellurium species also find utility as versatile reagents in synthetic applications. Chalcogenides further have an impact in modern material technologies, as exemplified by the fabrication of electric conductors, semiconductors, insulators, coatings, ceramics, catalysts, nanotubes, polymers, and thin films. Organic chalcogen-containing compounds have been essential in the development of macromolecular and polymeric active materials for use in organic light-emitting devices (OLEDs) and photovoltaic cells (OPVCs). Their electrical and optical features can be tuned and optimized for specific applications by appropriate tailoring of chalcogen-containing heterocyclic aromatics. Sulfur heterocycles and bioactive natural products are also extensively used as pharmaceuticals, agrochemicals, dyes, sensors, antioxidants, chiral pools, catalysts, ligands, and antibiotics.

In addition to synthetic advances and modern methods of characterization, there have also been improvements in computational methodologies providing the possibility to model complex molecular structures and chemical processes. This is changing the methods of designing materials with specific structures leading to new functional devices.

This Special Issue aims at collecting original contributions and comprehensive reviews on the topics covering synthesis, structural elucidation, and theoretical structural and reaction modeling, with special emphasis on the applications of chalcogenides both in inorganic, organic, and biochemistry.

Prof. Dr. Wolfgang Weigand
Prof. Dr. Risto S. Laitinen
Guest Editors

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Keywords

  • Chalcogens
  • P-block
  • Syntheses
  • Molecular structures
  • Electronic structures
  • Reactions
  • Catalysis
  • Materials
  • Natural products
  • Coordination chemistry

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Published Papers (2 papers)

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Research

11 pages, 6391 KiB  
Communication
Continuous Bioinspired Oxidation of Sulfides
by Francesca Mangiavacchi, Letizia Crociani, Luca Sancineto, Francesca Marini and Claudio Santi
Molecules 2020, 25(11), 2711; https://doi.org/10.3390/molecules25112711 - 11 Jun 2020
Cited by 18 | Viewed by 4182
Abstract
A simple, efficient, and selective oxidation under flow conditions of sulfides into their corresponding sulfoxides and sulfones is reported herein, using as a catalyst perselenic acid generated in situ by the oxidation of selenium (IV) oxide in a diluted aqueous solution of hydrogen [...] Read more.
A simple, efficient, and selective oxidation under flow conditions of sulfides into their corresponding sulfoxides and sulfones is reported herein, using as a catalyst perselenic acid generated in situ by the oxidation of selenium (IV) oxide in a diluted aqueous solution of hydrogen peroxide as the final oxidant. The scope of the proposed methodology was investigated using aryl alkyl sulfides, aryl vinyl sulfides, and dialkyl sulfides as substrates, evidencing, in general, a good applicability. The scaled-up synthesis of (methylsulfonyl)benzene was also demonstrated, leading to its gram-scale preparation. Full article
(This article belongs to the Special Issue Chalcogenides: New Developments and Cutting-Edge Applications)
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24 pages, 3822 KiB  
Article
Structure of Diferrocenyl Thioketone: From Molecule to Crystal
by Piotr Matczak, Grzegorz Mlostoń, Róża Hamera-Fałdyga, Helmar Görls and Wolfgang Weigand
Molecules 2019, 24(21), 3950; https://doi.org/10.3390/molecules24213950 - 31 Oct 2019
Cited by 6 | Viewed by 2885
Abstract
Ferrocenyl-functionalized thioketones have recently been recognized as useful building blocks for sulfur-containing compounds with potential applications in materials chemistry. This work is devoted to a single representative of such thioketones, namely diferrocenyl thioketone (Fc2CS), whose structure has been determined here for [...] Read more.
Ferrocenyl-functionalized thioketones have recently been recognized as useful building blocks for sulfur-containing compounds with potential applications in materials chemistry. This work is devoted to a single representative of such thioketones, namely diferrocenyl thioketone (Fc2CS), whose structure has been determined here for the first time. Both X-ray crystallography and a wide variety of quantum-chemical methods were used to explore the structure of Fc2CS. In addition to the X-ray structure determination, intermolecular interactions occurring in the crystal structure of Fc2CS were examined in detail by quantum-chemical methods. These methods were also an invaluable tool in studying the molecular structure of Fc2CS, from the gas phase to solutions and to its crystal. Intramolecular interactions governing the conformational behavior of an isolated Fc2CS molecule were deduced from quantum-chemical analyses carried out in orbital space and real space. Our experimental and theoretical results indicate that the main structural features of an isolated Fc2CS molecule in its lowest-energy geometry are retained both upon solvation and in the crystal. The tilt of ferrocenyl groups is only slightly affected by crystal packing forces that are dominated by dispersion. Nonetheless, a network of intermolecular interactions, such as H···H, C···H and S···H, was detected in the Fc2CS crystal but each of them is fairly weak. Full article
(This article belongs to the Special Issue Chalcogenides: New Developments and Cutting-Edge Applications)
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