Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems
R Maurice1, A M Pradipto1, N Guihéry1
1Laboratoire de Chimie et Physique Quantiques, Université de Toulouse 3, 118, route de Narbonne, 31062 Toulouse France, Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Marcel·lí Domingo s/n, 43007 Tarragona, Spain, Zernike Institute for Advanced Materials, University of Groningen, Groningen 9747AG, The Netherlands, and Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluis Companys 23, 08010, Barcelona, Spain.
Abstract:
The antisymmetric magnetic interaction is studied using correlated wave-function-based calculations in oxo-bridged copper bimetallic complexes. All of the anisotropic multispin Hamiltonian parameters are extracted using spin-orbit state interaction and effective Hamiltonian theory. It is shown that the methodology is accurate enough to calculate the antisymmetric terms, while the small symmetric anisotropic interactions require more sophisticated calculations. The origin of the antisymmetric anisotropy is analyzed, and the effect of geometrical deformations is addressed.
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