Contribution of direct and indirect exchange interaction to binuclear iron complexes

Intra-molecular magnetic exchange interaction in the tripyridinium bis[tetrachloroferrate(iii)] chloride molecular magnet: a broken symmetry-DFT study

“…Anderson [44] firstly introduced this type of exchange interaction, referred to superexchange interaction. It happens in strongly correlated systems, transition metal oxides and systems of molecules having charge and energy transfer such as molecular magnets [45][46][47].…”

“…It occurs in strongly correlated systems, transition metal oxides and systems of molecules having charge and energy transfer such as molecular magnets. [45][46][47] The electron spin density map (ESDM) provides clearer insights into the physical nature of the magnetic interaction in molecules under question and predicts the superexchange path. The ESDMs (in electrons per cubic angstrom, e Å À3 ) for the HS and BS states are illustrated in three planes XY, XZ and YZ (Fig.…”

Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+

“…[25][26][27] These complexes are models of the active sites of nitrosyl non-heme iron-sulfur proteins existing in all living organisms, from bacteria to mammals. 21,28 Variation of functional sulfur-containing ligands (R) in the synthetic models of [1Fe-2S] and [2Fe-2S] proteins, and of the synthesis conditions provides more thorough fundamental knowledge of the structure of the {RS 2 Fe(NO) 2 } unit, 25,[29][30][31][32][33][34][35][36][37][38][39][40][41][42][43][44] while the investigation of the pharmacological activity of these compounds, in addition to the known NO properties, opens the possibilities for practical application of mimetics of nitrosyl non-heme proteins as effective NO-generating compounds for the therapy of socially significant diseases. [45][46][47][48][49][50][51][52] In the present work, thiocarbamide having a wide range of biological activity, including antituberculosis, antibacterial 53,54 and antithyroid 55 properties, was used as a functional sulfurcontaining ligand.…”