ELECTRONIC-STRUCTURE OF BRIDGING HALOGEN ATOMS IN METAL HALIDE DIMERSSTUDIED BY THE AM1 METHOD AND NQR SPECTROSCOPY

A nuclear quadrupole resonance (NQR) study of the electronic structure of bridging halogen atoms in dimers of transition and non-transition metal halides has been performed. An explanation of the differences in the NQR frequencies for transition and non-transition metal halides i s proposed. The population of the bridging halogen atom orbitals and t he metal-halogen bond lengths have been estimated by the AM1 method. T he aim of this paper was to obtain a relationship describing the lengt hs of the metal-halogen bonds.