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  The Layered Semiconductor Cu(Sb2S3)[AlCl4]

Grasser, M. A., Finzel, K., & Ruck, M. (2022). The Layered Semiconductor Cu(Sb2S3)[AlCl4]. Zeitschrift für anorganische und allgemeine Chemie, e202200021, pp. 1-7. doi:10.1002/zaac.202200021.

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 Creators:
Grasser, Matthias A.1, Author
Finzel, Kati1, Author
Ruck, Michael2, Author              
Affiliations:
1External Organizations, ou_persistent22              
2Michael Ruck, Max Planck Fellow, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863444              

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 Abstract: Sb2S3 and CuCl were reacted in the ionic liquid [BMIm]Cl center dot 4.4AlCl(3) (BMIm = 1-n-butyl-3-methylimidazolium) at 200 C. Upon cooling to room temperature, orange-red colored, air-sensitive crystals of Cu(Sb2S3)[AlCl4] precipitated. X-ray diffraction on a single-crystal revealed an orthorhombic crystal structure, in which cationic [Cu(Sb2S3)](+) layers are separated by tetrahedral [AlCl4](-) anions. The uncharged SiD2S3 partial structure consists of one-dimensional strands with covalent Sb-S single bonds. The copper(I) cation is coordinated by three sulfur atoms and by one of chlorine atoms of the [AlCl4](-) anion. An optical band gap of 2.14 eV was deduced from UV/Vis spectra. In very good agreement, a band gap of 2.07 eV results from DFT-based calculations involving a new implementation of the bifunctional formalism for the exchange energy. By treatment with 0.1 molar hydrochloric acid, AlCl3 was leached from Cu(Sb2S3)[AlCl4] yielding a compound with the presumed composition Cu(Sb2S3)Cl. Hydrolysis at higher pH resulted in Cu2-xS and Sb4O5Cl2.

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Language(s): eng - English
 Dates: 2022-02-222022-02-22
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000773798400001
DOI: 10.1002/zaac.202200021
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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : J. Inorg. Gen Chem.
  Other : Journal of Inorganic and General Chemistry
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
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Publ. Info: Leipzig, Weinheim : Verlag Johann Ambrosius Barth / Wiley-VCH
Pages: - Volume / Issue: - Sequence Number: e202200021 Start / End Page: 1 - 7 Identifier: Other: 1521-3749
ISSN: 0044-2313
CoNE: https://pure.mpg.de/cone/journals/resource/954925453895