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Crystallographic Studies of Ternary Chalcogenides and Organic Semiconductors

Besnard, Céline LU (2004)
Abstract
X-ray diffraction methods have been used to study the crystal structure of different compounds, both organic and inorganic.



The inorganic compounds were all synthesized by solid state reactions. A new compound, Re<sub>4</sub>As<sub>6</sub>S<sub>3</sub>, was synthesized and its structure was solved by Rietveld methods. Re<sub>4</sub>As<sub>6</sub>S<sub>3</sub> is a cluster compound described by a rock-salt-type arrangement of ReAsS<sub>3</sub>- and As<sub>5</sub>- clusters. This structure is related to thiospinel with space-group F43m. In a further search for related systems, new intercalation compounds based on... (More)
X-ray diffraction methods have been used to study the crystal structure of different compounds, both organic and inorganic.



The inorganic compounds were all synthesized by solid state reactions. A new compound, Re<sub>4</sub>As<sub>6</sub>S<sub>3</sub>, was synthesized and its structure was solved by Rietveld methods. Re<sub>4</sub>As<sub>6</sub>S<sub>3</sub> is a cluster compound described by a rock-salt-type arrangement of ReAsS<sub>3</sub>- and As<sub>5</sub>- clusters. This structure is related to thiospinel with space-group F43m. In a further search for related systems, new intercalation compounds based on NbS<sub>2</sub> and Al or Zn were found. The new compound with approximate stoichiometry Zn<sub>1/3</sub>NbS<sub>2</sub> consists of layers of trigonal prismatic NbS<sub>6</sub> with inclusion of Zn in the octahedral sites between these layers. The inclusion of yttrium in the antiferromagnet manganese telluride (MnTe) was observed, and magnetic measurements indicate strong antiferromagnetic interactions between unpaired spins created by the inclusion of yttrium.



Single-crystal diffraction studies of organic semiconductors were carried out on crystals grown as part of a collaborative research project between Bell Laboratories (USA), Columbia University (USA) and the medical University of Silesia (Poland). The aim of this project is to better understand electronic charge transport in organic semiconductors. The crystal structures of two molecules with formula C<sub>42</sub>H<sub>30</sub> and C<sub>42</sub>H<sub>26</sub> that crystallized during the growth of rubrene (C<sub>42</sub>H<sub>28</sub>) crystals by vapour phase methods, were studied. The influence of substituents on molecular packing and hence on the charge transport was examined in different crystal structures of halogen substituted tetracene and hexacene-quinone. Finally the crystal structures of four quinoline and thiazine derivatives related to pentacene were studied. Unlike pentacene which is flat, all these molecules were butterfly molecules with five fused rings. Here, substituents strongly influence not only the packing of the molecules but also the butterfly angle. (Less)
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author
opponent
  • Professor Lidin, Sven, Stockholm University
organization
publishing date
type
Thesis
publication status
published
subject
keywords
phase equilibria, Kondenserade materiens egenskaper:struktur, egenskaper (termiska och mekaniska), kristallografi, fasjämvikt, crystallography, thermal and mechanical properties, Condensed matter:stucture, thiazine derivatives, quinoline derivatives, hexacene-quinone, substituted tetracene, rubrene derivatives, manganese telluride, organic semiconductors, niobium sulfide intercalation compounds, thiospinel
pages
150 pages
publisher
Department of Materials Chemistry, Lund University
defense location
Room G, Chemical Center, Lund Institute of Technology
defense date
2004-05-27 10:15
ISBN
91-7422-053-5
language
English
LU publication?
yes
id
9a4da64f-fba8-4716-82b2-af2b3dd8f529 (old id 467127)
date added to LUP
2007-09-25 20:12:54
date last changed
2016-09-19 08:45:05
@phdthesis{9a4da64f-fba8-4716-82b2-af2b3dd8f529,
  abstract     = {X-ray diffraction methods have been used to study the crystal structure of different compounds, both organic and inorganic.<br/><br>
<br/><br>
The inorganic compounds were all synthesized by solid state reactions. A new compound, Re&lt;sub&gt;4&lt;/sub&gt;As&lt;sub&gt;6&lt;/sub&gt;S&lt;sub&gt;3&lt;/sub&gt;, was synthesized and its structure was solved by Rietveld methods. Re&lt;sub&gt;4&lt;/sub&gt;As&lt;sub&gt;6&lt;/sub&gt;S&lt;sub&gt;3&lt;/sub&gt; is a cluster compound described by a rock-salt-type arrangement of ReAsS&lt;sub&gt;3&lt;/sub&gt;- and As&lt;sub&gt;5&lt;/sub&gt;- clusters. This structure is related to thiospinel with space-group F43m. In a further search for related systems, new intercalation compounds based on NbS&lt;sub&gt;2&lt;/sub&gt; and Al or Zn were found. The new compound with approximate stoichiometry Zn&lt;sub&gt;1/3&lt;/sub&gt;NbS&lt;sub&gt;2&lt;/sub&gt; consists of layers of trigonal prismatic NbS&lt;sub&gt;6&lt;/sub&gt; with inclusion of Zn in the octahedral sites between these layers. The inclusion of yttrium in the antiferromagnet manganese telluride (MnTe) was observed, and magnetic measurements indicate strong antiferromagnetic interactions between unpaired spins created by the inclusion of yttrium.<br/><br>
<br/><br>
Single-crystal diffraction studies of organic semiconductors were carried out on crystals grown as part of a collaborative research project between Bell Laboratories (USA), Columbia University (USA) and the medical University of Silesia (Poland). The aim of this project is to better understand electronic charge transport in organic semiconductors. The crystal structures of two molecules with formula C&lt;sub&gt;42&lt;/sub&gt;H&lt;sub&gt;30&lt;/sub&gt; and C&lt;sub&gt;42&lt;/sub&gt;H&lt;sub&gt;26&lt;/sub&gt; that crystallized during the growth of rubrene (C&lt;sub&gt;42&lt;/sub&gt;H&lt;sub&gt;28&lt;/sub&gt;) crystals by vapour phase methods, were studied. The influence of substituents on molecular packing and hence on the charge transport was examined in different crystal structures of halogen substituted tetracene and hexacene-quinone. Finally the crystal structures of four quinoline and thiazine derivatives related to pentacene were studied. Unlike pentacene which is flat, all these molecules were butterfly molecules with five fused rings. Here, substituents strongly influence not only the packing of the molecules but also the butterfly angle.},
  author       = {Besnard, Céline},
  isbn         = {91-7422-053-5},
  keyword      = {phase equilibria,Kondenserade materiens egenskaper:struktur,egenskaper (termiska och mekaniska),kristallografi,fasjämvikt,crystallography,thermal and mechanical properties,Condensed matter:stucture,thiazine derivatives,quinoline derivatives,hexacene-quinone,substituted tetracene,rubrene derivatives,manganese telluride,organic semiconductors,niobium sulfide intercalation compounds,thiospinel},
  language     = {eng},
  pages        = {150},
  publisher    = {Department of Materials Chemistry, Lund University},
  school       = {Lund University},
  title        = {Crystallographic Studies of Ternary Chalcogenides and Organic Semiconductors},
  year         = {2004},
}