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EPR Spectroscopy of a Family of Cr III 7 M II (M = Cd, Zn, Mn, Ni) “Wheels”: Studies of Isostructural Compounds with Different Spin Ground States
Author(s) -
Piligkos Stergios,
Weihe Høgni,
Bill Eckhard,
Neese Frank,
El Mkami Hassane,
Smith Graham M.,
Collison David,
Rajaraman Gopalan,
Timco Grigore A.,
Winpenny Richard E. P.,
McInnes Eric J. L.
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200801895
Subject(s) - electron paramagnetic resonance , hamiltonian (control theory) , isostructural , excited state , spectral line , chemistry , spectroscopy , crystallography , atomic physics , physics , nuclear magnetic resonance , quantum mechanics , mathematics , crystal structure , mathematical optimization
Spinning wheels : The presented highly resolved multifrequency continuous wave EPR spectra (e.g., see figure) of the heterooctametalic “wheels” Cr 7 M provide rare examples of high nuclearity polymetallic systems where detailed information on the spin‐Hamiltonian parameters of the ground and excited spin states is observed.We present highly resolved multifrequency (X‐, K‐, Q‐ and W‐band) continous wave EPR spectra of the heterooctametalic “wheels”, [(CH 3 ) 2 NH 2 ][Cr III 7 M II F 8 ((CH 3 ) 3 CCOO) 16 ], hereafter Cr 7 M, where M=Cd, Zn, Mn, and Ni. These experimental spectra provide rare examples of high nuclearity polymetallic systems where detailed information on the spin‐Hamiltonian parameters of the ground and excited spin states is observed. We interpret the EPR spectra by use of restricted size effective subspaces obtained by the rigorous solution of spin‐Hamiltonians of dimension up to 10 5 by use of the Davidson algorithm. We show that transferability of spin‐Hamiltonian parameters across complexes of the Cr 7 M family is possible and that the spin‐Hamiltonian parameters of Cr 7 M do not have sharply defined values, but are rather distributed around a mean value.