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Computational Determination of Iron Hyperfine Interactions in Organometallics Using Small Transverse External Magnetic Fields
Author(s) -
Nowik Israel,
Herber Rolfe H.
Publication year - 2006
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200600779
Subject(s) - hyperfine structure , chemistry , cationic polymerization , quadrupole splitting , quadrupole , paramagnetism , mössbauer spectroscopy , spectroscopy , magnetic field , crystallography , analytical chemistry (journal) , atomic physics , condensed matter physics , organic chemistry , physics , quantum mechanics
A number of organometallic and related iron‐containing compounds have been examined by transmission 57 Fe Mössbauer spectroscopy in modest (0–2.4 T) magnetic fields in order to determine the sign of the quadrupole‐splitting hyperfine parameter ( QS ) as well as the internal magnetic field in derived paramagnetic solids. A computer program has been developed to extract these parameters from the spectroscopic data. The sign of the QS is found to be positive in the neutral ferrocenoid solids and negative in the derived cationic complexes. The internal hyperfine field makes a positive contribution in the cationic ferrocenoids and a negative contribution in FeF 2 and Fe(phen) 2 (SCN) 2 . (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)