Abstract
We present highly resolved multifrequency (X-, K-, Q- and W-band) continous wave EPR spectra of the heterooctametalic "wheels", [(CH3)(2)NH2][(Cr7MF8)-M-III-F-II-((CH3)(3)CCOO)(16)], hereafter Cr7M, 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 sub-spaces 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 Cr7M family is possible and that the spin-Hamiltonian parameters of Cr7M do not have sharply defined values, but are rather distributed around a mean value.
Original language | English |
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Pages (from-to) | 3152-3167 |
Number of pages | 16 |
Journal | Chemistry - A European Journal |
Volume | 15 |
Issue number | 13 |
DOIs | |
Publication status | Published - 2009 |