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The Electronic Ground State of 3d Metal Ions with Respect to the ESR and NMR Experiment

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ESR and NMR of Paramagnetic Species in Biological and Related Systems

Part of the book series: Nato Advanced Study Institutes Series ((ASIC,volume 52))

Abstract

Coordination compounds may be regarded in a rough approximation as compounds in which the d orbitals are not deeply involved in the bonding. With this in mind the configuration of the free ion can be a good starting point. The splitting of the five d orbitals may be considered as arising either from the electrostatic repulsion due to the donor atoms or from their different anti-bonding character due to the coordination bond. The metal ions in a coordination compound have a number of unpaired electrons which depend on the dn configuration and on the overall symmetry of the molecule. When n is odd, of course there will be at least one unpaired electron; however, in order to know the number of unpaired electrons, the relative energies of the d orbitals should be known and the n electrons should be placed in these orbitals according to the Aufbau principle. The relative energies of the d orbitals depend on the metal-donor bond strength and on the symmetry around the metal ion (Fig. 1 and Table 1). Our interest in this chapter will be limited only to systems with net unpaired electrons.

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© 1980 D. Reidel Publishing Company, Dordrecht, Holland

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Bertini, I. (1980). The Electronic Ground State of 3d Metal Ions with Respect to the ESR and NMR Experiment. In: Bertini, I., Drago, R.S. (eds) ESR and NMR of Paramagnetic Species in Biological and Related Systems. Nato Advanced Study Institutes Series, vol 52. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9524-6_9

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  • DOI: https://doi.org/10.1007/978-94-009-9524-6_9

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-9526-0

  • Online ISBN: 978-94-009-9524-6

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