Table 1 Intermolecular energies of Br∙∙∙Br∙∙∙Br and Br∙∙∙Br∙∙∙I windmills of bromo- and iodobenzene in gas phase and on Cu(111).

From: Surface-controlled reversal of the selectivity of halogen bonds

Intermolecular energies (meV)

Br···Br···Br

Br···Br···I

Windmill in gas phase

−199

−217

Windmill on Cu(111)

−100

−70

  1. See “Methods” for details about the calculation of formation energies.
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