Charge-sensitive vibrational modes in the (EDT-TTF-OX)2AsF6 chiral molecular conductors
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- 作者：Iwona Olejniczak (1)
Arkadiusz Fr?ckowiak (1)
Jacek Matysiak (1) (2)
Augustin Madalan (3)
Flavia Pop (3)
Narcis Avarvari (3) - 关键词：chirality ; conducting materials ; infrared spectra ; Raman spectra ; density functional calculations
- 刊名：Central European Journal of Physics
- 出版年：2014
- 出版时间：March 2014
- 年：2014
- 卷：12
- 期：3
- 页码：215-220
- 全文大小：761 KB
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Arkadiusz Fr?ckowiak (1)
Jacek Matysiak (1) (2)
Augustin Madalan (3)
Flavia Pop (3)
Narcis Avarvari (3)
1. Institute of Molecular Physics Polish Academy of Sciences, Smoluchowskiego 17, 60-179, Poznań, Poland
2. Institute of Physics, Poznan University of Technology, Nieszawska 13A, 60-965, Poznań, Poland
3. Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bat. K, 2 Bd. Lavoisier, 49045, Angers, France - ISSN：1644-3608
文摘
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.