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Luminescence properties of the Cu4I62- cluster
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Organic Chemistry.
Stockholm University, Faculty of Science, Department of Organic Chemistry.
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2011 (English)In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 13, no 14, 4729-4734 p.Article in journal (Refereed) Published
Abstract [en]

Two new solvates were prepared in the system Cu(I)I using a solvolysis reaction. The structures for both of them were solved by X-ray crystllaography, showing that they constitute two modifications of the same compound with the net formula [Cu4I6](P(C6H5)4)2·2OC(CH3)2. Both types of crystals show vivid fluorescence when exposed to UV light. The formation of the first modification (I) seems to be preferred by kinetics and on ageing in the mother liquor it converts to modification (II). The Cu positions in (I) are disordered while those in (II) are fully ordered. The luminescent properties of both crystals were characterized using a confocal microscope and an excitation wavelength of 405 nm, resulting in fluorescence spectra with the intensities of 1.22 and 0.52 relative to the reference (fluorescein 10 µM). Density functional theory calculations on the ordered Cu4I62− core of modification (II) show that the de-excitation from LUMO to HOMO is responsible for the luminescence. The calculated emission spectrum has a maximum at 531 nm in good agreement with the results from confocal microscopy.

Place, publisher, year, edition, pages
2011. Vol. 13, no 14, 4729-4734 p.
National Category
Chemical Sciences
Research subject
Materials Chemistry
Identifiers
URN: urn:nbn:se:su:diva-55011DOI: 10.1039/c0ce00909aISI: 000292159200038OAI: oai:DiVA.org:su-55011DiVA: diva2:400012
Available from: 2011-02-24 Created: 2011-02-24 Last updated: 2017-12-11Bibliographically 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)
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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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