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Journal of Structural Chemistry

2008 year, number 6

WHY THE MODEL OF NON-INTERACTING CHAINS YIELDS ADEQUATE DESCRIPTION OF SPIN CROSSOVER IN SPACE STRUCTURES?

A. B. Koudriavtsev, W. Linert
Keywords: spin crossover, many-body interactions, ordering
Pages: 1154-1158

Abstract

Considering many-body interactions in tetrahedral structures as perturbations of binary potentials by third bodies yields a free energy functional of the binary mixture equivalent to one earlier derived for spin crossover equilibrium in one-dimensional chains. Formal non-ideality parameters of this functional, the excess energy and asymmetries of splittings can be expressed in terms of molecular parameters based on binary potentials.