Simulation of Mn(II) EPR spectra using a full spin-Hamiltonian approach

A full spin-Hamiltonian approach was used to calculate continuous-wave EPR spectra of Mn(II) complexes, and a comparison was made with spectra previously simulated by perturbation methods, Successful fits were performed using single values of the zero-field splitting parameter, D. The advantage of the new procedure is that it provides better fits where the magnetic field is not very large compared to zero-field splitting terms. (C) 1996 Academic Press, Inc.