Abstract
For a single valence tautomeric complex the vibronic problem of pseudo-Jahn–Teller effect is solved. The vibronic (hybrid) wave-functions and energy levels are used for the calculation of the temperature dependence of the molecular magnetic moment and the shape of the optical band in the near infrared range. The magnetic moment is shown to increase gradually from 1.73μB to 4.34μB. The spectrum of the isolated complex in the near infrared range is revealed to represent a band related to the light induced transfer of an electron from the cat ligand to the metal ion. The suggested model is in qualitative agreement with the experimental data.
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