Molecular dynamics and local electronic states of Sn and Fe in metallocytochrome and metalloporphyrin
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.
- Publication:
-
Hyperfine Interactions
- Pub Date:
- December 1994
- DOI:
- 10.1007/BF02064624
- Bibcode:
- 1994HyInt..91..891B