Fe Mossbauer Spectroscopic and Density Functional Theory (DFT) Study on the Interactions of the Metal Ion with Monosaccharides

The fundamental electrical and magnetic interactions between iron ions and biomaterials were investigated using an experimental approach, 57Fe Mössbauer spectroscopy, and ab initio computational methods. A conventional spin-Hamiltonian approach adopted for the data analysis of the Mössbauer data showed that the metal ion in the Fe-chitosan complex is in the high-spin ferric state and that it has an internal magnetic field of approximately 440 kG, at the nucleus. The magnitude of the internal field arises from the predominant Fermi-contact interaction of the high-spin ferric species with N/O ligands. This book proposes a scheme for the Fe-chitosan complex based on the analysis of the experimental data.