Electron densities in transition metal complexes: population analysis of polarized neutron diffraction data
- 4 August 1980
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 372 (1748) , 1-7
- https://doi.org/10.1098/rspa.1980.0098
Abstract
We describe the use of local multipole expansions to parametrize the spin-density distributions in transition metal complexes, derived from Bragg magnetic structure factors, and discuss the determination of 'local orbital' populations. The methods are used to derive quantitative atomic spin-density distributions in the (CrF$_6$)$^{3-}$ ion.Keywords
This publication has 3 references indexed in Scilit:
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- Spin density distribution in iron-silicon alloysJournal of Physics F: Metal Physics, 1972