Influence of solvents on spin transition of [Fe(abpt)2 (C(CN)3)2] spin-crossover molecule

Typical quantities of the electronic structure and spin-transition of this molecule such as the atomic charge, the magnetic moment of Fe ion, the HOMO-LUMO gap, and the spin-state energy difference are varied as a function of dielectric constant of solvents. They reach saturation values with increasing dielectric constant. These results should give some hints to control spin transition temperature of spin-crossover molecules.
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Influence of solvents on spin transition of [Fe(abpt)2 (C(CN)3)2] spin-crossover molecule