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Mechanism of binding of iron to potential therapeutic chelating agents (1980)

Spingarn, Neil E. ; Sartorelli, Alan C.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 18 (1980), S. 493-500

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: To aid in designing new therapeutic iron chelating agents, the mechanism of iron binding to prototypic heterocyclic carboxaldehyde thiosemicarbazones has been studied. Based on molecular orbital and spectroscopic studies, iron (II) is found to bind in a covalent manner, while iron(III) seems to interact ionically. However, with both iron(II) and iron(III), chelate formation is dependent on charge interaction between the metal and the coordinating atoms of the ligand.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560180219

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