EPR Spectroscopy of a Family of (Cr7MnII)-Mn-III (M = Cd, Zn, Mn, Ni) "Wheels": Studies of Isostructural Compounds with Different Spin Ground States

Stergios Piligkos, Hogni Weihe, Eckhard Bill, Frank Neese, Hassane El Mkami, Graham M. Smith, David Collison, Gopalan Rajaraman, Grigore A. Timco, Richard E. P. Winpenny, Eric J. L. McInnes

Research output: Contribution to journalArticlepeer-review

65 Citations (Scopus)

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 languageEnglish
Pages (from-to)3152-3167
Number of pages16
JournalChemistry - A European Journal
Volume15
Issue number13
DOIs
Publication statusPublished - 2009

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