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Electronic and vibronic states of an asymmetric trimeric mixed-valence cluster

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Abstract

Electronic and adiabatic vibronic states of d1-d1-d2 trimeric clusters are considered in terms of the many-electron theory of mixed-valence states. The initial model includes two d-orbitals on each center and allows for Heisenberg and double exchange, asymmetry of the system, and vibronic coupling with local shifts of ligands. Influence of distortions in the trimers on the structure of tunnel-exchange states, on ferro-or antiferromagnetism of the clusters, and on the form of the adiabatic potential is examined.

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Authors
  1. J. -J. Borras-Almenar
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  2. E. Coronado
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  3. B. S. Tsukerblat
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  4. A. V. Palii
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  5. A. V. Babich
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Additional information

State University, Moldova Republic. Valencia University, Spain. Institute of Chemistry, Academy of Sciences, Moldova Republic. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 4, pp. 35–45, July–August, 1994.

Translated by L. Smolina

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Borras-Almenar, J.J., Coronado, E., Tsukerblat, B.S. et al. Electronic and vibronic states of an asymmetric trimeric mixed-valence cluster. J Struct Chem 35, 454–464 (1994). https://doi.org/10.1007/BF02578355

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  • DOI: https://doi.org/10.1007/BF02578355

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