Abstract
The induced spin density was determined by polarised neutron diffraction in the S = 10 ground state of [(tacn) 6Fe 8O 2(OH) 12]Br 4.3(ClO 4) 3.7 · 6H 2O, Fe 8pcl, which differently from the bromide analogous, Fe 8Br 8, presents a centre of symmetry. The relative spin arrangement is in agreement with the model proposed from classical magnetic measurements and with the previous spin density study in the noncentrosymmetrical Fe 8Br 8 compound. The experimental spin populations on the iron atoms are in good quantitative agreement with calculations using exact diagonalisation of the exchange Hamiltonian with experimental J values obtained from magnetic susceptibility measurements on Fe 8Br 8. This determination confirms that the spin density determination provides a valuable evaluation of the relative strengths (and sign) of the intracluster magnetic interactions and that the dissymmetry observed on the spin populations in the Fe 8Br 8 compound with respect to quasi-D 2 symmetry of the molecular frame was an artefact due to the data refinement method for non centrosymmetrical structures.
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