Theoretical and Experimental Chemistry

, Volume 21, Issue 4, pp 428–436 | Cite as

Pairwise interaction method in crystal field theory

  • R. B. Dushin
  • L. D. Shcherba


We describe a new variant of crystal field theory — the pairwise interaction method. The pairwise interaction method is a superposition variant of crystal field theory in which as the parameters we use the shifts in the one-electron orbital energy levels of the innerZ-electron under the action of the perturbation caused by a single ligand. We establish a relationship between the pairwise interaction method parameters and parameters of the angular overlap model and classifical crystal field theory. We present tables allowing us to consider (in the weak crystal field approximation) the complexes ML6, ML8(Oh), and ML4(Td) with integral and half-integral values of J for the central atom (≤6), and also the octahedral complex in the case of an intermediate crystal field for integral J≤6.


Energy Level Crystal Field Method Parameter Central Atom Orbital Energy 
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Copyright information

© Plenum Publishing Corporation 1986

Authors and Affiliations

  • R. B. Dushin
    • 1
  • L. D. Shcherba
    • 1
  1. 1.Leningrad

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