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

• Autorzy: Iwona Olejniczak , Arkadiusz Frąckowiak , Jacek Matysiak , Augustin Madalan , Flavia Pop , Narcis Avarvari
• Języki publikacji: EN

Abstrakty

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.

Słowa kluczowe

EN

chirality; conducting materials; infrared spectra; Raman spectra; density functional calculations

• Czasopismo: Open Physics
• Rocznik: 2014
• Tom: 12
• Numer: 3
• Strony: 215-220

Daty

wydano

2014-03-01

online

2014-03-13

Twórcy

autor

Iwona Olejniczak

• Institute of Molecular Physics Polish Academy of Sciences, Smoluchowskiego 17, 60-179, Poznań, Poland,

autor

Arkadiusz Frąckowiak

• Institute of Molecular Physics Polish Academy of Sciences, Smoluchowskiego 17, 60-179, Poznań, Poland

autor

Jacek Matysiak

autor

Augustin Madalan

• Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bât. K, 2 Bd. Lavoisier, 49045, Angers, France

autor

Flavia Pop

• Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bât. K, 2 Bd. Lavoisier, 49045, Angers, France

autor

Narcis Avarvari

• Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bât. K, 2 Bd. Lavoisier, 49045, Angers, France

Bibliografia

• [1] T. Ishiguro, K. Yamaji, G. Saito, Organic Superconductor (Springer-Verlag, Berlin, 1998) http://dx.doi.org/10.1007/978-3-642-58262-2[Crossref]
• [2] N. Avarvari, J. D. Wallis, J. Mater. Chem. 19, 4061 (2009) http://dx.doi.org/10.1039/b820598a[Crossref]
• [3] C. Réthoré, N. Avarvari, E. Canadell, P. Auban-Senzier, M. Fourmigué, J. Am. Chem. Soc. 127, 5748 (2005) http://dx.doi.org/10.1021/ja0503884[Crossref]
• [4] A. M. Madalan et al., Chem. Eur. J. 16, 528 (2010) http://dx.doi.org/10.1002/chem.200901980[Crossref]
• [5] H. Seo, C. Hotta, H. Fukuyama, Chem. Rev. 104, 5005 (2004) http://dx.doi.org/10.1021/cr030646k[Crossref]
• [6] K. Yamamoto, K. Yakushi, K. Miyagawa, K. Kanoda, A. Kawamoto, Phys. Rev. B 65, 085110 (2002) http://dx.doi.org/10.1103/PhysRevB.65.085110[Crossref]
• [7] J. Merino, R. H. McKenzie, Phys. Rev. Lett. 87, 237002 (2001) http://dx.doi.org/10.1103/PhysRevLett.87.237002[Crossref]
• [8] J. Merino, A. Greco, R. H. McKenzie, M. Calandra, Phys. Rev. B 68, 245121 (2003) http://dx.doi.org/10.1103/PhysRevB.68.245121[Crossref]
• [9] S. Kaiser et al., Phys. Rev. Lett. 105, 206402 (2010) http://dx.doi.org/10.1103/PhysRevLett.105.206402[Crossref]
• [10] T. Yamamoto et al., J. Phys. Chem. B 109, 15226 (2005) http://dx.doi.org/10.1021/jp050247o[Crossref]
• [11] M. J. Rice, Phys. Rev. Lett. 37, 36 (1976) http://dx.doi.org/10.1103/PhysRevLett.37.36[Crossref]
• [12] M. J. Frisch et al., Gaussian 03 (Revision B.03), (Gaussian, Inc., Pittsburgh PA, 2003)
• [13] A. P. Scott, L. Radom, J. Phys. Chem. 100, 16502 (1996) http://dx.doi.org/10.1021/jp960976r[Crossref]
• [14] C. Réthoré, M. Fourmigué, N. Avarvari, Chem. Commun. 2004, 1384 (2004) http://dx.doi.org/10.1039/b402877e[Crossref]
• [15] C. Réthoré, M. Fourmigué, N. Avarvari, Tetrahedron 61, 10935 (2005) http://dx.doi.org/10.1016/j.tet.2005.08.104[Crossref]
• [16] A. Girlando, J. Phys. Chem. C 115, 19371 (2011) http://dx.doi.org/10.1021/jp206171r[Crossref]

Identyfikatory

DOI

10.2478/s11534-014-0443-1