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Accurate predictions of the EPR parameters in planar cobalt(II) complexes by hybrid density functional theory

Zbiri, Mohamed

In: Inorganica Chimica Acta, 2006, vol. 359, no. 12, p. 3865-3870

The hybrid density functional theory is applied to calculate the electron paramagnetic resonance parameters, i.e, the g- and A-tensors of some planar Cobalt(II) complexes with a C2v symmetry. Calculations were done for four systems: Co(acacen), Co(tacacen), Co(seacacen) and...