Abstract
The spin-scrossover transition of [Fe(HC(3,5-Me2pz)3)2](NO3)2 complex has been studied by means of vibrational spectroscopy. Analysis of experimental and quantum-chemically computed IR and Raman spectra allows to find vibrational markers of LS and HS states of the complex under study. It was shown that in a whole being once found the IR-markers can be used for related compounds with substituted ligands if the substitution do not involve the groups responsible for the markers. The bands of such groups can be used as internal standart due to their insensitivity to metal spin state.
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