New Insights on Vibrational Dynamics of Corannulene

Rozenn Le Parc (1) , Patrick Hermet , Stephane Rols , David Maurin (1) , Laurent Alvarez (1) , Alexandre Ivanov , Jennifer M. Quimby , Caitlin G. Hanley , Lawrence T. Scott , Jean-Louis Bantignies (1)

1 L2C - Laboratoire Charles Coulomb

Vibrational dynamics in the corannulene crystal is exhaustively studied through Raman scattering, infrared spectroscopy, and inelastic neutron scattering. Experimental data are coupled to simulations of the phonon modes performed in the framework of first principle calculations. Intermolecular vibrations (libration and translation) are assigned in the low frequency domain (10-200 cm-1). These modes exhibit specific temperature dependence in the far-infrared.

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Rozenn Le Parc, Patrick Hermet, Stephane Rols, David Maurin, Laurent Alvarez, et al.. New Insights on Vibrational Dynamics of Corannulene. Journal of Physical Chemistry C, 2012, 116 (47), pp.25089-25096. ⟨10.1021/jp307536d⟩. ⟨hal-00811653⟩