Issue 21, 2008
From the journal:

Chemical Communications

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

Navaratnarajah Kuganathana  and  Jennifer C. Green*a  

* Corresponding authors

a Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford, UK
E-mail: jennifer.green@chem.ox.ac.uk

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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Article information

DOI
https://doi.org/10.1039/B804636K
Article type
Communication
Submitted
18 Mar 2008
Accepted
31 Mar 2008
First published
21 Apr 2008

Chem. Commun., 2008, 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, 2432 DOI: 10.1039/B804636K

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