The X-ray structure of the {Cu(NH3)(4)[Au(CN)(2)]}(+)[Au(CN)(2)](-) salt is reported showing an unprecedented [d(9)]Cu...[d(10)]Au coinage bond. The physical nature of the interaction has been studied using DFT calculations, including the quantum theory of atoms-in-molecules, the noncovalent interaction plot and the natural bond orbital analysis, revealing the nucleophilic role of the [d(10)]Au metal and the electrophilic role of [d(9)]Cu metal.
Unprecedented [d(9)]Cu...[d(10)]Au coinage bonding interactions in {Cu(NH3)(4)[Au(CN)(2)]}(+)[Au(CN)(2)](-) salt
Priola, EFirst
;
2021-01-01
Abstract
The X-ray structure of the {Cu(NH3)(4)[Au(CN)(2)]}(+)[Au(CN)(2)](-) salt is reported showing an unprecedented [d(9)]Cu...[d(10)]Au coinage bond. The physical nature of the interaction has been studied using DFT calculations, including the quantum theory of atoms-in-molecules, the noncovalent interaction plot and the natural bond orbital analysis, revealing the nucleophilic role of the [d(10)]Au metal and the electrophilic role of [d(9)]Cu metal.
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