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Bis(tetrapropylammonium) di-μ3-iodido-di-μ2-iodido-diiodidodipyridinetetracopper(I)
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK).
2010 (Engelska)Ingår i: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 66, nr E66, s. m431-Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

The title compound, (C12H28N)2[Cu3.194I6(C5H5N)2] was prepared from reaction of copper powder, copper(I) oxide, hydroiodic acid, tetrapropylammonium iodide and pyridine under hydrothermal conditions. In the centrosymmetric Cu4I62- anion, one Cu site is in a trigonal-planar coordination while the second Cu site, which is only partially occupied [site occupancy of 0.5968 (16)], is surroundedby three iodine atoms and one pyridine molecule in a distorted tetrahedral coordination

Ort, förlag, år, upplaga, sidor
2010. Vol. 66, nr E66, s. m431-
Nyckelord [en]
copper iodide
Nationell ämneskategori
Kemi
Forskningsämne
materialkemi
Identifikatorer
URN: urn:nbn:se:su:diva-42778DOI: 10.1107/S1600536810010202ISI: 000276190700068OAI: oai:DiVA.org:su-42778DiVA, id: diva2:351435
Tillgänglig från: 2010-09-14 Skapad: 2010-09-14 Senast uppdaterad: 2017-12-12Bibliografiskt granskad
Ingår i avhandling
1. New Cu-I cluster compounds with luminescent properties
Öppna denna publikation i ny flik eller fönster >>New Cu-I cluster compounds with luminescent properties
2011 (Engelska)Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
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.

Ort, förlag, år, upplaga, sidor
Stockholm: Department of Materials and Environmental Chemistry (MMK), Stockholm University, 2011. s. 51
Nyckelord
Copper (I) iodide, structure determination, luminescence, TDDFT
Nationell ämneskategori
Materialkemi
Forskningsämne
materialkemi
Identifikatorer
urn:nbn:se:su:diva-54910 (URN)978-91-7447-240-0 (ISBN)
Disputation
2011-04-13, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 09:00 (Engelska)
Opponent
Handledare
Anmärkning
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. Tillgänglig från: 2011-03-22 Skapad: 2011-02-21 Senast uppdaterad: 2011-04-05Bibliografiskt granskad

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Jalilian, Ehsan
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Institutionen för material- och miljökemi (MMK)
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Acta Crystallographica Section E: Structure Reports Online
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