High-spin heteronuclear cyanometalates: g-tensors and magnetic properties of CrIIINiIIn (n=2,3,4,5,6) and heptanuclear CrIIICuII6 compounds

Abstract Using the irreducible tensor operator technique we develop a computational approach to the problem of g-tensors for the heteronuclear polymetallic systems consisting of the arbitrary number of coupled paramagnetic ions. We deduce the effective g-values for the family of the heterometallic CrIIINiII n cyanometalates (n=2,3,4,5,6) possessing different topologies. For CrIIINiII 6 complexes a good fit to experimental μ(T) is achieved. For CrIIICuII 6 the local anisotropy of g for CuII ions is taken into account.