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Charge-sensitive vibrational modes in the (EDT-TTF-OX)_2AsF_6 chiral molecular conductors | | Iwona Olejniczak
; Arkadiusz Frackowiak
; Jacek Matysiak
; Augustin Madalan
; Flavia Pop
; Narcis Avarvari
; | | Date: |
2 May 2013 | | Abstract: | Infrared and Raman spectra of the three chiral molecular conductors
(EDT-TTF-OX)_2AsF_6, comprising 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 the C=C stretching modes in
both Raman and infrared spectra of the (EDT-TTF-OX)_2AsF_6 materials are
analyzed assuming linear relationship between the frequency and charge on the
molecule. The charge density on the EDT-TTF-OX donor molecule is estimated to
be +0.5 in all the investigated materials and does not change with temperature.
Therefore it is suggested, that M-I transition observed in (EDT-TTF-X)_2AsF_6
chiral molecular conductors at low temperature is not related to the charge
ordering mechanism. | | Source: | arXiv, 1305.0519 | | Services: | Forum | Review | PDF | Favorites | |
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