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Journal
2014 | 12 | 3 | 215-220
Article title

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

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EN
Abstracts
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.
Publisher
Journal
Year
Volume
12
Issue
3
Pages
215-220
Physical description
Dates
published
1 - 3 - 2014
online
13 - 3 - 2014
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-014-0443-1
Identifiers
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