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Iron (II) complexes with substituted tris(pyrazolyl) ligands, which exhibit athermally driven transition from a low-spin state at low temperatures to ahigh-spin state at elevated temperatures, have been studied by M\"ossbauerspectroscopy and magnetic susceptibility measurements. From the observedspectra the molar high-spin fraction and the transition temperature have beenextracted. All substituents, except for bromine, lead to a decrease of thetransition temperature. Density functional calculations have been carried outto compare the experimentally observed shifts of the transition temperaturewith those derived from theory.

Substituent Effects on the Spin-Transition Temperature in Complexes with Tris(pyrazolyl) Ligands