Publication in Dalton TransactionsPublikace v Dalton Transactions
The results of the study entitled „5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations“, which was performed at the Department of Inorganic Chemistry, was published in a prestigious international journal Dalton Transactions (IF2012 = 3.806). High-temperature SCO Fe(III) Schiff-base complexes with 5-aminotetrazolate were prepared and thoroughly characterized. Structural, magnetic and parameters were also investigated using DFT calculations with the B3LYP functional involving various corrections
Výsledky studie provedené na Katedře anorganické chemie s názvem „5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations“ byly publikovány v prestižním časopise Dalton Transactions (IF2012 = 3,806). Byly připraveny vysokoteplotní spin crossover železité koordinační sloučeniny s 5-aminotetrazolátem, u kterých se studovala souvislost mezi jejich molekulovou/krystalovou strukturou a magnetickými vlastnostmi nejen pomocí magnetometrie a Mössbauerovy spektroskopie, ale i pomocí teoretických metod na bázi DFT.