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

Literature Information

Publication Date 2008-04-21
DOI 10.1039/B804636K
Impact Factor 6.222
Authors

Navaratnarajah Kuganathan, Jennifer C. Green


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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.

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Back cover

Front/Back Matter

DOI: 10.1039/B908008M

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