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Electron Localization–delocalization in Mixed-valence Iron Dimers by S.M. Ostrovsky; R. Werner; K. Nag; W. Haase is a Physics and Astronomy article available to read on EtoBox.

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w 1 Ž . xŽ . w 1 Ž . Ž . Ž . xŽ . Two mixed-valence iron dimers, L Fe m-OAc ClO and L Fe m-OBz OBz H O ClO , were investigated. 2 2 4 2 2 4 The temperature dependence of the effective magnetic moments and the position and shape of the intervalence absorption bands were calculated using a Hamiltonian taking into account isotropic exchange interaction, double exchange, Zeeman interaction, zero-field splitting for the ground state and vibronic coupling with the PKS out-of-phase mode. The similarities and differences of the investigated compounds were explained on the basis of analysis of the adiabatic potentials. The behaviour of both systems is determined by a strong competition between two main processes: double exchange interaction and vibronic coupling with PKS out-of-phase mode. Degree of delocalization of the itinerant extra electron was calculated at different values of temperature.

Who reads Electron Localization–delocalization in Mixed-valence Iron Dimers?

Author

S.M. Ostrovsky; R. Werner; K. Nag; W. Haase

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

2000

Language

EN

Field

Physics and Astronomy (Physical Sciences)