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Use of the Mössbauer isomer shift and the X-ray emission Kα shift to estimate the effective electronic population of iron in complexes

✍ Scribed by J. Blomquist; B. Roos; M. Sundbom


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
272 KB
Volume
9
Category
Article
ISSN
0009-2614

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✦ Synopsis


The Hartree-Fock method is used to calculate the KG trawition energy for a number of configurations of different Fe ions. Experimental X-ray emission G shifts are combined with Massbauer isomer shifts to estimate the effective mtiguratioae of the iron ion.


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Magnetic suswptibilities down to 1.2"K and 57Fe Miissbauer spectra at 42°K are reported on [Fe(pten)2 OR] \* 5H20. The results are consistent with a 3Az(~z~2~~)ground state characterized by a zero-field splitting of D = 4.150 cm-' into an upper !&Ys= +l) and a lower 10) level andg = 2.80. In reasona