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Molecular dynamics and local electronic states of Sn and Fe in metallocytochrome and metalloporphyrin

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Abstract

In Sn-porphyrin tin appears in the Sn4+ state while in Sn-cytochrome c Sn4+ and Sn2+ states are observed. In Fe-porphyrin iron exhibits temperature-dependent mixed Fe2+-Fe3+ valency. In Fe-cytochrome iron is in the Fe3+ state. The bounded diffusion is observed in Fe-porphyrins above 300 K. The temperature dependence of the metal mean square displacement in cytochrome c and in Sn-porphyrin shows a deviation from the Debye model, which may be explained either by a new vibrational degree of freedom occurring above 150 K or by anharmonicity of the usual vibrations.

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Burda, K., Hrynkiewicz, A., Kołoczek, H. et al. Molecular dynamics and local electronic states of Sn and Fe in metallocytochrome and metalloporphyrin. Hyperfine Interact 91, 891–897 (1994). https://doi.org/10.1007/BF02064624

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