- Terahertz spectroscopy of the crystalline alpha-quaterthiophene: A combined experimental and density functional theory study hal link

Auteur(s): Hermet P., Bantignies J.-L., Maurin D., Sauvajol J.-L.

(Article) Publié: Chemical Physics Letters, vol. 445 p.47-50 (2007)

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We have investigated the experimental terahertz phonon modes in a model oligothiophene, the alpha-quaterthiophene (LT phase), by using infrared and inelastic neutron scattering spectroscopy in the 10-50 cm(-1) (0.3-1.5 THz) domain. The ability of density functional theory to reproduce the terahertz infrared phonon modes is also reported. In agreement with the calculation, the experimental infrared spectrum at 10 K is dominated by two phonon modes centered at 32 and 46 cm-(1) respectively assigned to an antiphasis translation mode and a libration of rings. (C) 2007 Published by Elsevier B.V.