A DFT study on the complex formation between desferrithiocin and metal ions (Mg2+, Al3+, Ca2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+)
In recent years, Metal-chelating compounds, namely siderphores have been considered
very much because of their crucial role in various fields of the environmental researches.
Their importance lies in the fact that they are able to be bonded to a variety of metals in
addition to iron. A theoretical study on the structures of desferrithiocin siderphore
coordinated to Mg 2+, Al 3+, Ca 2+, Mn 2+, Fe 3+, Co 2+, Ni 2+, Cu 2+ and Zn 2+ metal ions
was carried out, using the CAM-B3LYP/6-31G (d) level of the theory in the water. In order to …
very much because of their crucial role in various fields of the environmental researches.
Their importance lies in the fact that they are able to be bonded to a variety of metals in
addition to iron. A theoretical study on the structures of desferrithiocin siderphore
coordinated to Mg 2+, Al 3+, Ca 2+, Mn 2+, Fe 3+, Co 2+, Ni 2+, Cu 2+ and Zn 2+ metal ions
was carried out, using the CAM-B3LYP/6-31G (d) level of the theory in the water. In order to …
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