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Article
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
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 ...
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Article
Influence of alkyl substituents in cations of mononuclear dinitrosyliron complexes containing thiourea ligands on the mechanism of the reaction with molecular oxygen: a quantum chemical study
Mechanisms of reactions between cations of mononuclear dinitrosyliron complexes (DNIC) bearing alkyl-substituted thiourea ligands and molecular oxygen were studied by the density functional theory. The optimiz...
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Article
Features of the decomposition of the nitrosyl iron complex with thiourea ligands under aerobic conditions: experiment and kinetic and quantum chemical modeling
The reaction of oxygen with the nitrosyl iron complex [Fe(SC(NH2)2)2(NO)2]+ (complex 1) was studied. According to the results obtained, three main directions of transformation of complex 1 under aerobic condition...
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Article
Amazing example of the retention of an unusual domed structure of PdII 3,5-di(tert-butyl)-2-oxyazobenzene in the crystal and gas phase
The structure of the newly synthesized palladium(ii) 3,5-di(tert-butyl)-2-oxyazobenzene, PdL2, was determined by X-ray diffraction. The metal chelate was found to adopt an unusual domed conformation, with the tra...