Abstract

Strong influences of bridging ligands L on the magnetism of two Ni 9 complexes, Ni 9 L 2 (O 2 CMe) 8 {(2-py) 2 CO 2 } 4 (L=OH − 1 and N 3 - 2 ) are demonstrated by magnetic interactions. Effective exchange integrals J for 1 and 2 are determined non-empirically using UB3LYP and UBLYP. The calculated magnetic susceptibility for 1 is wholly consistent with the experimental values. Although the ground spin state of 2 obtained using the calculated J values agrees with the experimental S = 9 state, fitting of the J values to the experimental magnetic susceptibility curve indicates weak antiferromagnetic interactions via the azido ligands.

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