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Vibrational spectra of two BEDT-TTF-based organic conductors: charge order

100%
Graja A., Olejniczak I., Barszcz B., Schlueter J.
Open Physics
|
2009
|
vol. 7
|
issue 4
663-667
EN
Infrared and Raman investigations of two phases of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) based organic conductors with the same CF3CF2SO3− anion: β′-(BEDT-TTF)2CF3CF2SO3 and δ′-(BEDT-TTF)2CF3CF2SO3, are shortly reviewed and compared with the most typical infrared properties of the family of (BEDT-TTF)2RR′SO3 organic conductors, where R = SF5, CF3, and R′ are CH2, CF2, CHF, CHFCF2, and CH2CF2. The role of the molecular structur and spatial organization of the counterions is discussed.
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Charge-sensitive vibrational modes in the (EDT-TTF-OX)2AsF6 chiral molecular conductors

76%
Olejniczak I., Frąckowiak A., Matysiak J., Madalan A., Pop F., Avarvari N.
Open Physics
|
2014
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vol. 12
|
issue 3
215-220
EN
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.
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