Magnetization density in an iron(III) magnetic cluster. A polarized neutron investigation

Journal of the American Chemical Society

Volumn 121, Issue 22, 1999, Pages 5342-5343

  Pontillon, Yves ^a   Caneschi, Andrea ^a   Gatteschi, Dante ^a   Sessoli, Roberta ^a   Ressouche, Eric ^b   Schweizer, Jacques ^b   Lelievre Berna, Eddy ^c  

^a UNIVERSITY OF FLORENCE   (Italy)

^b CEA GRENOBLE   (France)

^c INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

IRON;

ANISOTROPY; ARTICLE; BEAM THERAPY; ELECTRON SPIN RESONANCE; MAGNETIC FIELD; NEUTRON ACTIVATION ANALYSIS; NUCLEAR MAGNETIC RESONANCE; THERMODYNAMICS;

EID: 0033538270     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9903126     Document Type: Article

References (25)

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13. The structure, at the temperature where the PND experiment is performed, is required (see refs 8, 9, and 11). This experiment was performed on the unpolarized lifting counter diffractometer D15 at the ILL'S reactor (single crystal of size 2.9 × 1.8 × 1.0 mm, b-axis vertical, T = 5 K). The position and the isotropic thermal factors were refined using the SHELX93 program down to an agreement factor R1 = 9.6% (1455 reflections with I > 4σI) and R1 = 12.7% (all the 1959 independent reflections). The corresponding cell parameters are: a = 10.470 Å (11), b = 14.036 Å (22), c = 14.987 Å (18), α = 89.645° (67), β= 109.948° (42), γ= 109.595° (67). Precise nuclear structure factors were calculated from this refined low-temperature crystal structure.
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16. 2 is the agreement between calculated and observed data. The "prior" probability represents the intrinsic probability of the map, prior to the experiment, and can be expressed in term of the entropy of the map. The map is then chosen with the best map as being that which maximizes the entropy and keeps a good agreement with the experimental data.
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18. k(r) are the population coefficients and Slater type radial functions, respectively. The population coefficients as well as the Slater radial exponents are the parameters of the model.
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24. 3c because in ref 3c the decrease of χT was not attributed to magnetic anisotropy but to the presence of a S = 9 ground state.
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