Double exchange in polynuclear mixed-valence clusters. 2. Iron-sulfur proteins [Fe4S4]+ and [Fe4S4]3+

J. J. Borras-Almenar; R. Jorge; S. I. Klokishner; E. Coronado; S. M. Ostrovskii; A. V. Palii; B. S. Tsukerblat

doi:10.1007/BF02437031

Double exchange in polynuclear mixed-valence clusters. 2. Iron-sulfur proteins [Fe₄S₄]⁺ and [Fe₄S₄]³⁺

J. J. Borras-Almenar, R. Jorge, S. I. Klokishner, E. Coronado, S. M. Ostrovskii, A. V. Palii, B. S. Tsukerblat

Department of Chemistry

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Abstract

The energy states of tetrameric iron dusters with d⁶-d⁶-d⁶-d⁵ and d⁵-d⁵-d⁵-d⁶ electronic configurations, which form the metal frameworks of the [Fe₄S₄]⁺ and [Fe₄S₄]³⁺ iron-sulfur proteins, are calculated using a general approach. It is revealed that the structural distortions of these systems significantly affect the composition of the magnetic states. The effect of the isotropic Heisenberg exchange is considered.

Original language	English
Pages (from-to)	699-706
Number of pages	8
Journal	Journal of Structural Chemistry
Volume	37
Issue number	5
DOIs	https://doi.org/10.1007/BF02437031
State	Published - 1 Jan 1996

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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title = "Double exchange in polynuclear mixed-valence clusters. 2. Iron-sulfur proteins [Fe4S4]+ and [Fe4S4]3+",

abstract = "The energy states of tetrameric iron dusters with d6-d6-d6-d5 and d5-d5-d5-d6 electronic configurations, which form the metal frameworks of the [Fe4S4]+ and [Fe4S4]3+ iron-sulfur proteins, are calculated using a general approach. It is revealed that the structural distortions of these systems significantly affect the composition of the magnetic states. The effect of the isotropic Heisenberg exchange is considered.",

author = "Borras-Almenar, {J. J.} and R. Jorge and Klokishner, {S. I.} and E. Coronado and Ostrovskii, {S. M.} and Palii, {A. V.} and Tsukerblat, {B. S.}",

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T1 - Double exchange in polynuclear mixed-valence clusters. 2. Iron-sulfur proteins [Fe4S4]+ and [Fe4S4]3+

AU - Borras-Almenar, J. J.

AU - Jorge, R.

AU - Klokishner, S. I.

AU - Coronado, E.

AU - Ostrovskii, S. M.

AU - Palii, A. V.

AU - Tsukerblat, B. S.

PY - 1996/1/1

Y1 - 1996/1/1

N2 - The energy states of tetrameric iron dusters with d6-d6-d6-d5 and d5-d5-d5-d6 electronic configurations, which form the metal frameworks of the [Fe4S4]+ and [Fe4S4]3+ iron-sulfur proteins, are calculated using a general approach. It is revealed that the structural distortions of these systems significantly affect the composition of the magnetic states. The effect of the isotropic Heisenberg exchange is considered.

AB - The energy states of tetrameric iron dusters with d6-d6-d6-d5 and d5-d5-d5-d6 electronic configurations, which form the metal frameworks of the [Fe4S4]+ and [Fe4S4]3+ iron-sulfur proteins, are calculated using a general approach. It is revealed that the structural distortions of these systems significantly affect the composition of the magnetic states. The effect of the isotropic Heisenberg exchange is considered.

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U2 - 10.1007/BF02437031

DO - 10.1007/BF02437031

M3 - Article

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VL - 37

SP - 699

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JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

IS - 5

ER -

Double exchange in polynuclear mixed-valence clusters. 2. Iron-sulfur proteins [Fe₄S₄]⁺ and [Fe₄S₄]³⁺

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