Ionization energy calculations of MCl<SUB>4</SUB> (M = Ti, Zr and Hf)-type molecules by the MS Xα method

The ionization energies of core and valence electrons of MCl4 (where M = Ti, Zr and Hf)-type complexes have now been calculated using the MS Xα method and comparison made with previously calculated values and experimental values reported earlier. This method helps to predict the ionization energies of the MCl4 molecules. The periodic trend in the relativistic effect on MCl4 has been discussed. The electron affinities computed by this method suggest that the negative-ion states of TiCl4 seem to be more stable than the other two tetrachlorides