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Electronic structure of bridging halogen atoms in metal halide dimers studied by the AM1 method and NQR spectroscopy

✍ Scribed by O.Kh. Poleshchuk; B. Nogaj; J.N. Latosińska; J. Koput


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
635 KB
Volume
6
Category
Article
ISSN
0926-2040

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✦ Synopsis


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 is proposed. The population of the bridging halogen atom orbitals and the metal-halogen bond lengths have been estimated by the AM1 method. The aim of this paper was to obtain a relationship describing the lengths of the metal-halogen bonds.