• Comparison of electronic structure of group IV A tetrahalides using MS-Xα calculations

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    • Keywords


      MS-Xα calculation; charge transfer energies; group IVA tetrahalides

    • Abstract


      The charge transfer spectral properties of group IV A tetrahalides (where M=Ti, Zr or Hf and X=F, Cl, Br or I) have been calculated using the Ms-Xα method and compared with experimental values. The order of ligand-to-metal charge transfer energies corresponds to the one-electron oxidation potential of X→X+e(F/F, Cl/Cl, Br/Br and I/I). The dependence of the ligand-to-metal charge transfer energies on the optical electronegativity of the ligand has been demonstrated. The nature of bonding of the group IVA tetrahalides has been analysed using the MS-Xα method.

    • Author Affiliations


      V Subramanian1 T Ramasami1

      1. Chemical Laboratory, Central Leather Research Institute, Adyar, Madras - 600 020, India
    • Dates

  • Journal of Chemical Sciences | News

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