## Abstract

A cluster orbital theory is developed, which allows the calculation of Mossbauer spectra of oxidized and reduced ferredoxin of Clostridium pasteurianum under the conditions of low temperature (4.2 K) and high external magnetic field [formula omitted]. The calculations are based on the symmetry properties of the problem and the way in which these symmetries are reflected in the (iron)_{4}-sulfur cluster wave function. The assumed cubic Td symmetry of the cluster implies an isotropic interaction with the applied external magnetic field, where the average g-tensor is taken to be g=1.944 in accordance with ESR results. The magnetic hyperfine interaction of the cluster electrons with the magnetic dipole moments of the iron nuclei is defined by two parameters x and [formula omitted] reflecting trigonal point symmetry C_{3V} of each iron site. These parameters are determined by a least squares fit of the experimental Mossbauer spectrum of reduced ferredoxin at 4.2 K and H_{ext} = 2 T. In correspondence with the theory, x and [formula omitted] have been proved to be independent of H_{ext}. Despite neglecting small deviations from T_{d} and C_{3V} point symmetry of the center of the cluster and the iron sites, respectively, theory and experiments are in reasonable good agreement.

Original language | English |
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Pages (from-to) | 683-691 |

Number of pages | 9 |

Journal | Zeitschrift fur Naturforschung - Section C Journal of Biosciences |

Volume | 29 |

Issue number | 11-12 |

DOIs | |

State | Published - 1 Dec 1974 |

## Keywords

- Clostridium pasteurianum
- Cluster Orbital Theory
- Ferredoxin
- Mössbauer Effect

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