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Luminescence properties of the Cu4I62- cluster
KTH, School of Engineering Sciences (SCI), Applied Physics, Cell Physics.ORCID iD: 0000-0003-0578-4003
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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 crystallography, showing that they constitute two modifications of the same compound with the net formula [Cu4I6](P(C6H5)(4))(2)center dot 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 mu M). 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.
Keyword [en]
AB-INITIO, ZEROVALENT COPPER, COMPLEXES, CRYSTAL, IODOCUPRATE(I), GROUP-11, ANIONS, HALIDE
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-36252DOI: 10.1039/c0ce00909aISI: 000292159200038Scopus ID: 2-s2.0-79959775146OAI: oai:DiVA.org:kth-36252DiVA: diva2:430489
Note
QC 20110711Available from: 2011-07-11 Created: 2011-07-11 Last updated: 2017-12-11Bibliographically approved

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Brismar, Hjalmar

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