Crystallographic Studies of Ternary Chalcogenides and Organic Semiconductors
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/467127
- author
- Besnard, Céline LU
- supervisor
- opponent
-
- Professor Lidin, Sven, Stockholm University
- organization
- publishing date
- 2004
- 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 10:15:00
- ISBN
- 91-7422-053-5
- language
- English
- LU publication?
- yes
- additional info
- Article: Re4As6S3, a thio-spinel-related cluster systemC. Besnard, C. Svensson, K. Ståhl and T. SiegristJournal of Solid state Chemistry , 172, 446-450 (2003) Article: X-ray structure of 14-phenyldiquino[3,4-b;4',3'-e][1,4]thiazineC. Besnard, Ch. Kloc, T. Siegrist and K. PlutaSubmitted to Journal of Chemical Crystallography Article: 14-phenyl-14-cyano-thiopyrano[2,3-c;6,5-c’]diquinolineC. Besnard, Ch. Kloc, T. Siegrist, C. Svensson, K. PlutaIn manuscript Article: Coronene-TCNQ Charge-Transfer SaltX. Chi, C. Besnard, V. K. Thorsmølle, G. Lawes, V. Butko,A. J. Taylor, T. Siegrist, A. P. RamirezIn manuscript The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Polymer and Materials Chemistry (LTH) (011001041)
- id
- 9a4da64f-fba8-4716-82b2-af2b3dd8f529 (old id 467127)
- date added to LUP
- 2016-04-04 10:28:55
- date last changed
- 2018-11-21 20:59:00
@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<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.<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<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.}},
author = {{Besnard, Céline}},
isbn = {{91-7422-053-5}},
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}},
language = {{eng}},
publisher = {{Department of Materials Chemistry, Lund University}},
school = {{Lund University}},
title = {{Crystallographic Studies of Ternary Chalcogenides and Organic Semiconductors}},
year = {{2004}},
}