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Abstract:
The present contribution analyzes the special bonding situation of the [FAAF]− anions (A = O, S, Se, Te), where the addition on an extra charge turns the covalent A–A bond of the neutral into a charge-shift (CS) bond. By means of theoretical calculations, we demonstrate that electrostatic interactions produced by negative point charges can transform the covalent A–A bond in the A2+ cation into a CS one. Consequently, the electric field created by the fluorine atoms can be behind the unusual bonding situation of [FAAF]−, showing how electrostatic interactions can influence and alter the nature of the chemical bond.