Transformation reactions of NO ligand in cationic nitrosyl iron complex [Fe(SC(NH2)2)2(NO)2]+ in aerobic aqueous solution: quantum chemical modeling and kinetic aspects
摘要
A mechanism of the reaction between the cationic nitrosyl iron complex with thiourea ligands [Fe(SC(NH2)2)2(NO)2]+Cl− and molecular oxygen in aqueous solution is proposed. It was demonstrated that NO released as reaction product can undergo subsequent transformations in the presence of molecular oxygen and water. As a result, various oxygen-containing products including NO2, NO2−, NO3−, and ONOO− are released to the solution. A mechanism was proposed for the formation of an OH radical in the system, which makes it possible to explain the experimental data on the kinetics of NO release by the complex under study under aerobic and anaerobic conditions.