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Issue 21, 2008
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Crystal structure of low-dimensional Cu(I) iodide: DFT prediction of cuprophilic interactions

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Abstract

Density functional theory calculations of the crystal structure of copper(I) iodide encapsulated within small diameter single walled nanotubes predict edge sharing tetrahedra of copper atoms, bridged by iodine, with Cu–Cu near neighbour distances varying from 2.42 to 2.72 Å indicating a strong closed shell cuprophilic interaction.

Graphical abstract: Crystal structure of low-dimensional Cu(i) iodide: DFT prediction of cuprophilic interactions

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Publication details

The article was received on 18 Mar 2008, accepted on 31 Mar 2008 and first published on 21 Apr 2008


Article type: Communication
DOI: 10.1039/B804636K
Citation: Chem. Commun., 2008,0, 2432-2434
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    Crystal structure of low-dimensional Cu(I) iodide: DFT prediction of cuprophilic interactions

    N. Kuganathan and J. C. Green, Chem. Commun., 2008, 0, 2432
    DOI: 10.1039/B804636K

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