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Shamoon Ahmad Siddiqui and Tabish Rasheed Quantum chemical study of IrFn (n = 1–7) clusters: An investigation of superhalogen properties International Journal of Quantum Chemistry 113

Version of Record online: 16 MAR 2012 | DOI: 10.1002/qua.24053

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Molecules that exhibit values of electronegativity superior to those of halogen atoms are called superhalogens. A new class of superhalogens, IrF n (n = 1–7) clusters, is introduced in this work. The clusters are found to be stable in the gas phase against dissociation to F and F2. The binding energy of NaIrF4 is larger than that of NaF, suggesting that a new class of salts can be synthesized by reacting IrF n superhalogens with appropriate metal cations.

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