Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods.

@article{Sigfridsson2001InnersphereRE,
  title={Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods.},
  author={Emma Sigfridsson and Martin Olsson and Ulf Ryde},
  journal={Inorganic chemistry},
  year={2001},
  volume={40 11},
  pages={2509-19}
}
Models of several types of iron-sulfur clusters (e.g., Fe(4)S(4)(SCH(3))(4)(2-/3-/4-)) have been studied with the density functional B3LYP method and medium-sized basis sets. In a vacuum, the inner-sphere reorganization energies are 40, 76, 40, 62, 43, and 42 kJ/mol for the rubredoxin, [2Fe-2S] ferredoxin, Rieske, [4Fe-4S] ferredoxin, high-potential iron protein, and desulfoferrodoxin models, respectively. The first two types of clusters were also studied in the protein, where the… CONTINUE READING

From This Paper

Topics from this paper.

Citations

Publications citing this paper.
Showing 1-10 of 11 extracted citations

The iron–sulfur core in Rieske proteins is not symmetric

JBIC Journal of Biological Inorganic Chemistry • 2014

Similar Papers

Loading similar papers…