The structure of the chlorocuprate anion

Abstract

Abstract The anomalous configuration of CuCl2-4 is accounted for on a theoretical basis. The model used is a central cupric ion surrounded by four polarized chloride ions fixed at the experimentally observed distance. Taking into account the electrostatic and van der Waals repulsion of the polarized chloride ions and the perturbation of the cupric ion by these ligands it is found that the predicted equilibrium angles are 122.4° and 103.4°, compared with the experimentally observed values of 120 ± 3° and 104 ± 3°.