Journal article
Spin and charge density in Ni(NH3)4(NO2)2 and the chemical bonding
Le Journal de Physique Colloques, Vol.43(C7), pp.323-328
1982
Abstract
Polarised neutron and X-ray diffraction experiments have been performed on Ni(NH3)4(NO2) 2, to study respectively the spin and charge distributions in the molecule. The results have been compared with an ab-initio M.O. calculation. 27 % of the spin is transferred to the ligand atoms by covalent interactions. A simple ligand field model, with four empirical parameters, agrees qualitatively, but not quantitatively with the combined spin and charge results. The U.H.F. ab-initio calculation results are also in broad agreement with the experiments, but correspond to a good deal less covalency in the bonding. This emphasises the need to consider configuration interaction and/or a long range "crystal field" in describing bonding in crystalline transition metal compounds.
Details
- Title
- Spin and charge density in Ni(NH3)4(NO2)2 and the chemical bonding
- Authors/Creators
- G.S. Chandler (Author/Creator) - The University of Western AustraliaB.N. Figgis (Author/Creator) - The University of Western AustraliaR. Phillips (Author/Creator) - The University of Western AustraliaP.A. Reynolds (Author/Creator) - The University of Western AustraliaR. Mason (Author/Creator) - University of Sussex
- Publication Details
- Le Journal de Physique Colloques, Vol.43(C7), pp.323-328
- Publisher
- EDP Sciences
- Identifiers
- 991005540159507891
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
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