A study of the tetrahallogenonickel(II) complexes by the Fenske-Hall molecular orbital method

The coordination geometry and electronic structure of the NiX4(2-) complex ions (X=Cl, Br, I) have been studied by the Fenske-Hall SCF method. The calculation confirm the presence of tetrahedral over square-planar geometry. They also show that the MO energy level splitting is consistent with the spectrochemical series. The calculation confirm that the Ni-X bond becomes increasingly covalent in the series: NiCl4(2-), NiBr4(2-), NiI4(2-