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Article Dans Une Revue Central European Journal of Physics Année : 2014

Charge-sensitive vibrational modes in the (EDT-TTF-OX)2AsF6 chiral molecular conductors

Iwona Olejniczak
  • Fonction : Auteur
Arkadiusz Frąckowiak
  • Fonction : Auteur
Jacek Matysiak
  • Fonction : Auteur
Flavia Pop
Narcis Avarvari

Résumé

Infrared and Raman spectra of three chiral molecular conductors (EDT-TTF-OX)2AsF6, comprising of two salts based on enantiopure EDT-TTF-OX donor molecules and one based on their racemic mixture, have been measured as a function of temperature. In the frequency range of the C=C stretching vibrations of EDT-TTF-OX, charge-sensitive modes are identified based on theoretical calculations for neutral and oxidized EDT-TTF-OX using density functional theory (DFT) methods. The positions of C=C stretching modes in both Raman and infrared spectra of the (EDT-TTF-OX)2AsF6 materials are analyzed assuming a linear relationship between the frequency and charge of the molecule. The charge density on the EDTTTF-OX donor molecule is estimated to be +0.5 in all investigated materials and does not change with temperature. Therefore we suggest, that M-I transition observed in (EDT-TTF-OX)2AsF6 chiral molecular conductors at low temperature is not related to the charge ordering mechanism.

Domaines

Chimie

Dates et versions

hal-03344924 , version 1 (15-09-2021)

Identifiants

Citer

Iwona Olejniczak, Arkadiusz Frąckowiak, Jacek Matysiak, Augustin-M. Madalan, Flavia Pop, et al.. Charge-sensitive vibrational modes in the (EDT-TTF-OX)2AsF6 chiral molecular conductors. Central European Journal of Physics, 2014, 12 (3), Non spécifié. ⟨10.2478/s11534-014-0443-1⟩. ⟨hal-03344924⟩
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