Iron(III) complex with N2O2-thiosemicarbazidato and azide ligands. Synthesis mechanism, experimental and theoretical studies

Add time:07/27/2019    Source:sciencedirect.com

Reaction of acetylacetone-S-methyl-thiosemicarbazone and 4-methoxy-salicylaldehyde in presence of Fe(ClO4)3 and NaN3 resulted in a mixed ligand complex, [Fe(L)N3], where L is N2O2-chelating thiosemicarbazidato ligand formed by template condensation. The first iron complex of the thiosemicarbazidato structure bearing a nitrogen ligand instead of chlorine in the 5th coordination site of iron(III) was characterized by using elemental analysis and spectroscopic methods. Crystallographic analysis clearly revealed the square pyramidal environment of iron(III) center. To support and compare the experimental data, the molecular geometries, vibrational frequencies, NMR chemical shifts, molecular electrostatic potential surface and HOMO-LUMO energies were performed by using DFT-B3LYP method. Formation of the iron(III) complex was explicated by identification the reaction intermediates using experimental and theoretical methods.

We also recommend Trading Suppliers and Manufacturers of IRON(III) PERCHLORATE HYDRATE (cas 15201-61-3). Pls Click Website Link as below: cas 15201-61-3 suppliers

Prev:Phenol oxidation through its adduct formation with chromium complex of 1,4,8,11-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane: A theoretical study
Next:Different iron salt impregnated granular activated carbon (Fe-GAC) for perchlorate removal: Characterization, performance and mechanism)