Crystal structure of low-dimensional Cu(i) iodide: DFT prediction of cuprophilic interactions
Literature Information
Navaratnarajah Kuganathan, Jennifer C. Green
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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