ISSN:
1573-9171
Keywords:
clathrochelate complexes
;
iron(ii)
;
57Fe Mossbauer spectra
;
X-ray diffraction study
;
molecular structure
;
temperature dependences
;
electron density distribution
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The molecular and crystal structure of the macrobicyclic complex FeDm3(BF)2⋅C6H6 was established by X-ray diffraction analysis at 138, 208, and 291 K. The X-ray diffraction data were compared with the 57Fe Mossbauer spectral parameters of this complex in the temperature range of 135-290 K. A substantial disagreement between the experimental values of quadrupole splitting and the corresponding values calculated based on the concept of partial quadrupole splitting was attributed to the displacement of the Fe atom from the center of the cavity of the macrobicyclic ligand and to the distortion of the axial symmetry of the electron density distribution about the metal atom.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1009524025644
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