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Dual graphs realized in the compounds di-μ3-4-mercaptopyridine catena-di-μ2-iodo-di-μ3-iodo-μ4-iodo penta copper(I) and di-μ3-4-mercaptopyridine-di-catena-iodo-di-μ3-iodo tri copper(I)
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Lunds universitet, Polymer- och materialkemi.
2010 (English)In: Journal of Solid State Chemistry, ISSN 0022-4596, E-ISSN 1095-726X, Vol. 183, no 11, 2656-2661 p.Article in journal (Refereed) Published
Abstract [en]

Two compounds, [Cu5I5](SNC5H4)2 [i] and [Cu3I3](SNC5H4)2 [ii], were synthesized under hydrothermal conditions and the crystal structures were solved. Both compounds crystallized in space group I41/a. The iodide and the sulphur from mercaptopyridine are connected to copper atom, giving the copper atoms tetrahedral coordination geometry. The pyridine end of the organic moiety is non-bonding and fills the empty space around the tetrahedra formed from copper, sulphur and iodide.

Place, publisher, year, edition, pages
2010. Vol. 183, no 11, 2656-2661 p.
Keyword [en]
copper iodide cluster structure
National Category
Chemical Sciences
Research subject
Materials Chemistry
Identifiers
URN: urn:nbn:se:su:diva-42785DOI: 10.1016/j.jssc.2010.09.009ISI: 000284179800023OAI: oai:DiVA.org:su-42785DiVA: diva2:351443
Available from: 2010-09-14 Created: 2010-09-14 Last updated: 2017-12-12Bibliographically approved
In thesis
1. New Cu-I cluster compounds with luminescent properties
Open this publication in new window or tab >>New Cu-I cluster compounds with luminescent properties
2011 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The aim of this thesis has been to investigate how the synthesis route, choice of solvent and counter-ions effects the crystallization of Cu(I)I systems, and to investigate the correlation between the structure and luminescence properties of the systems.

In order to do so a series of compounds based on an anion containing Cu(I)I, stabilized by organic cations have been produced. The crystal structures have been determined by single crystal X-ray crystallography. The luminescence properties have been quantified by laser confocal microscopy or by fluorescence spectrophotometry. We have also performed quantum mechanical calculations (Time Dependent Density Functional Theory (TDDFT)) to increase the understanding of the luminescence properties of the title system.

Incorporation of tetraalkylammonium with different chain-size showed that the size of the counter-ion matters, where small counter-ion give rise to formation of infinite chains and large and bulky counter-ion tends to form discrete anion. However, the effect of incorporation of different phosphonium based cations was not as consistent, hence the conclusion must be that the size of the cation matters only sometimes. Two different synthesis routes have been employed during this study, the solvolysis method and the hydrothermal method. The latter method showed to be very efficient for this system. Hydrothermal conditions do, however, tend to give rise to the formation of the thermodynamically most stable product and the combination of the two approaches is beneficial for a wider scan of the phase space.

Place, publisher, year, edition, pages
Stockholm: Department of Materials and Environmental Chemistry (MMK), Stockholm University, 2011. 51 p.
Keyword
Copper (I) iodide, structure determination, luminescence, TDDFT
National Category
Materials Chemistry
Research subject
Materials Chemistry
Identifiers
urn:nbn:se:su:diva-54910 (URN)978-91-7447-240-0 (ISBN)
Public defence
2011-04-13, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 09:00 (English)
Opponent
Supervisors
Note
At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 3: In press. Paper 6: Submitted. Paper 7: Submitted. Paper 8: Submitted. Paper 9: Manuscript. Available from: 2011-03-22 Created: 2011-02-21 Last updated: 2011-04-05Bibliographically approved

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