Special Issue "Structure, Properties, and Bonding in Solid State Compounds"

A special issue of Inorganics (ISSN 2304-6740). This special issue belongs to the section "Inorganic Solid-State Chemistry".

Deadline for manuscript submissions: 31 August 2019

Special Issue Editor

Guest Editor
Prof. Dr. Thomas Doert

Faculty of Chemistry and Food Chemistry, Technische Universität Dresden, Dresden, Germany
Website | E-Mail
Interests: solid-state chemistry; materials research; crystal structure; band structure; electronic properties; chemical bonding; quantum chemistry; materials properties; structure–property relationship

Special Issue Information

Dear Colleagues,

Can we understand the unique properties of diamonds without knowing about their crystal structure and chemical bonding? Why is α-quartz a commonly used piezoelectric material while β-quartz is unusable? Which compound is suitable as a ferroelectric actor, and which substance exhibits giant magnetoresistance? How can we trigger the critical field and temperature of a superconductor? What ingredients do we need for a Weyl semimetal? How can we design a topological insulator based on chemical knowledge, and what renders a compound suitable for spintronics, for energy conversion, and for gas separation or catalysis?

Materials’ properties depend on the interplay of the chemical composition and crystal structure of their underlying solid-state compounds, as well as of their chemical bonding and electronic features. Structure–property relationships are by no means an outdated topic. On the contrary, they contain the key ingredients necessary to understand and tailor materials’ properties for a broad variety of applications. Today’s sophisticated characterization techniques, modern computing power, and robust codes for quantum chemical calculations combined with innovative ideas lead to astonishing insights into solid-state matter and may pave the way for future technologies.

The current Special Issue of Inorganics entitled “Structure, Properties, and Bonding in Solid State Compounds” provides a unique forum that allows for the dissemination of results in research areas related to these topics. Scientists working in all fields of solid-state and materials chemistry are invited to use this unique opportunity for presenting their work.

Prof. Dr. Thomas Doert
Guest Editor

Manuscript Submission Information

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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. Inorganics is an international peer-reviewed open access monthly 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 550 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

  • solid-state chemistry
  • materials research
  • crystal structure
  • band structure
  • electronic properties
  • chemical bonding
  • quantum chemistry
  • materials properties
  • structure–property relationship

Published Papers (2 papers)

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Research

Open AccessArticle
Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride
Received: 24 April 2019 / Revised: 23 May 2019 / Accepted: 27 May 2019 / Published: 31 May 2019
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Abstract
Although the electronic structures of several tellurides have been recognized by applying the Zintl-Klemm concept, there are also tellurides whose electronic structures cannot be understood by applications of the aforementioned idea. To probe the appropriateness of the valence-electron transfers as implied [...] Read more.
Although the electronic structures of several tellurides have been recognized by applying the Zintl-Klemm concept, there are also tellurides whose electronic structures cannot be understood by applications of the aforementioned idea. To probe the appropriateness of the valence-electron transfers as implied by Zintl-Klemm treatments of ALn2Ag3Te5-type tellurides (A = alkaline-metal; Ln = lanthanide), the electronic structure and, furthermore, the bonding situation was prototypically explored for RbPr2Ag3Te5. The crystal structure of that type of telluride is discussed for the examples of RbLn2Ag3Te5 (Ln = Pr, Nd), and it is composed of tunnels which are assembled by the tellurium atoms and enclose the rubidium, lanthanide, and silver atoms, respectively. Even though a Zintl-Klemm treatment of RbPr2Ag3Te5 results in an (electron-precise) valence-electron distribution of (Rb+)(Pr3+)2(Ag+)3(Te2−)5, the bonding analysis based on quantum-chemical means indicates that a full electron transfer as suggested by the Zintl-Klemm approach should be considered with concern. Full article
(This article belongs to the Special Issue Structure, Properties, and Bonding in Solid State Compounds)
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Graphical abstract

Open AccessArticle
Low-Temperature Ordering in the Cluster Compound (Bi8)Tl[AlCl4]3
Received: 25 February 2019 / Revised: 18 March 2019 / Accepted: 18 March 2019 / Published: 27 March 2019
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Abstract
The reaction of Bi, BiCl3, and TlCl in the ionic liquid [BMIm]Cl·4AlCl3 (BMIm = 1-n-butyl-3-methylimidazolium) at 180 °C yielded air-sensitive black crystals of (Bi8)Tl[AlCl4]3. X-ray diffraction on single crystals at room temperature [...] Read more.
The reaction of Bi, BiCl3, and TlCl in the ionic liquid [BMIm]Cl·4AlCl3 (BMIm = 1-n-butyl-3-methylimidazolium) at 180 °C yielded air-sensitive black crystals of (Bi8)Tl[AlCl4]3. X-ray diffraction on single crystals at room temperature revealed a structure containing [ Tl ( AlCl 4 ) 3 ] 1 2 strands separated by isolated Bi82+ square antiprisms. The thallium(I) ion is coordinated by twelve Cl ions of six [AlCl4] groups, resulting in a chain of face-sharing [TlCl12]11− icosahedra. The Bi82+ polycation is disordered, simulating a threefold axis through its center and overall hexagonal symmetry (space group P63/m). Slowly cooling the crystals to 170 K resulted in increased order in the Bi8 cluster orientations. An ordered structure model in a supercell with a’ = 2a, b’ = 2b, c’ = 3c and the space group P65 was refined. The structure resembles a hexagonal perovskite, with complex groups in place of simple ions. Full article
(This article belongs to the Special Issue Structure, Properties, and Bonding in Solid State Compounds)
Figures

Figure 1

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