Monte Carlo studies of a MnII molecular system with a 2D trellis layer coupled-ladder configuration

Classical Monte Carlo simulations (CMC) of the magnetic properties of a two-dimensional network containing Mn(II) ions with S = 5/2 ground-state spin have been carried out within the frame of an isotropic Heisenberg model. Analytical expression fitting the numerical simulations for the 2D trellis layer coupled-ladder configuration has been derived. With this empirical formula in hands, magnetic interactions between the magnetic ions can be extracted from the experimental data of this kind of network. A fit of the experimental data for the complex, namely Mn2(C7H11O6)4]n · nH2O (1) has been carried out and the following parameters were obtained; J1 = 0.13(1) K being the interladder interaction, J = 0.45(1) K being the intraladder interaction, g = 1.99(1).