4 years ago

Electric field control of the valence tautomeric transformation in cobalt complexes

Silvio Decurtins, Oleg Reu, Shi-Xia Liu, Sophia Klokishner, Serghei Ostrovsky
In the present paper a single valence tautomeric cobalt complex placed in a dc electric field is examined. Along with the interaction with the electric field the model employed accounts for intramolecular transfer of the excess electron, vibronic and exchange interactions. To obtain the energy spectrum of the valence tautomeric complex in the electric field, the vibronic problem of the pseudo-Jahn-Teller effect is solved. The vibronic (hybrid) wave-functions and energy levels are used for the calculation of the temperature and field dependence of the molecular magnetic moment, and the polarization and shape of the absorption band in the near infrared range that relates to the light-induced transfer of the electron from the cat ligand to the metal ion. It is predicted that the application of a dc electric field leads to the appearance of electric polarization and significant change in magnetic and spectroscopic properties. A unique possibility to control electrically the magnetic state and optical and polarization characteristics of a valence tautomeric molecule is predicted.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/ejic.201700849

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