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Issue 29, 2014
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Theoretical insights into the effect of amine and phosphine decoration on the photoluminescence of copper(I) and silver(I) coordination polymers

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Abstract

Coinage metal cyanides (MCN) form photoluminescent 1D coordination polymers. The decoration of these chains with amine and phosphine ligands shifts the wavelength for photoluminescence into the visible region. Density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations of zigzag and helical models of decorated chains are used to show that the transitions that contribute to the experimental spectra are related to the π–π excitations previously shown for coinage metal cyanide chains.

Graphical abstract: Theoretical insights into the effect of amine and phosphine decoration on the photoluminescence of copper(i) and silver(i) coordination polymers

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Publication details

The article was received on 29 Jan 2014, accepted on 30 Apr 2014 and first published on 01 May 2014


Article type: Paper
DOI: 10.1039/C4DT00313F
Citation: Dalton Trans., 2014,43, 11243-11251
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    Theoretical insights into the effect of amine and phosphine decoration on the photoluminescence of copper(I) and silver(I) coordination polymers

    C. A. Bayse, L. K. Harper, J. L. Ming and R. D. Pike, Dalton Trans., 2014, 43, 11243
    DOI: 10.1039/C4DT00313F

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