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Luminescence properties of monoclinic Cu4I4(Piperidine)4
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK).
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för organisk kemi.
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för organisk kemi.
2011 (engelsk)Inngår i: Materials research bulletin, ISSN 0025-5408, E-ISSN 1873-4227, Vol. 46, nr 8, s. 1192-1196Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

A new modification of Cu4I4Pip4 has been synthesized under hydrothermal conditions. X-ray crystallography revealed that this compound crystallized in the monoclinic system and consists of a tetrahedral core with composition Cu4I4, in which each Cu atom is coordinated by a piperidine molecule via the N atom. In contrast to a previously reported modification of Cu4I4Pip4, the present modification shows luminescent properties when exposed to UV-light. In addition, we have used time-dependent density functional theory calculations to characterize both compounds in term of both absorption and emission.

sted, utgiver, år, opplag, sider
Elsevier Ltd. , 2011. Vol. 46, nr 8, s. 1192-1196
Emneord [en]
D. Luminescence
HSV kategori
Forskningsprogram
materialkemi
Identifikatorer
URN: urn:nbn:se:su:diva-55013DOI: 10.1016/j.materresbull.2011.04.012ISI: 000292722900007OAI: oai:DiVA.org:su-55013DiVA, id: diva2:400018
Tilgjengelig fra: 2011-02-24 Laget: 2011-02-24 Sist oppdatert: 2017-12-11bibliografisk kontrollert
Inngår i avhandling
1. New Cu-I cluster compounds with luminescent properties
Åpne denne publikasjonen i ny fane eller vindu >>New Cu-I cluster compounds with luminescent properties
2011 (engelsk)Doktoravhandling, med artikler (Annet vitenskapelig)
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.

sted, utgiver, år, opplag, sider
Stockholm: Department of Materials and Environmental Chemistry (MMK), Stockholm University, 2011. s. 51
Emneord
Copper (I) iodide, structure determination, luminescence, TDDFT
HSV kategori
Forskningsprogram
materialkemi
Identifikatorer
urn:nbn:se:su:diva-54910 (URN)978-91-7447-240-0 (ISBN)
Disputas
2011-04-13, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 09:00 (engelsk)
Opponent
Veileder
Merknad
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. Tilgjengelig fra: 2011-03-22 Laget: 2011-02-21 Sist oppdatert: 2011-04-05bibliografisk kontrollert

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