The polarized infrared absorption spectra of alpha -sexithienyl single crystal show the Davydov splitting of some intramolecular ungerade phonons. They are analyzed into details considering the perturbation on the molecular force constants due to the solid state interactions within the unit cell. The proposed model allows to identify the effects of the pertubation within the molecular crystal and to estimate the new force constants of the unit cell.

The Intramolecular Vibrational Dynamics of Mer-Tris (8-Hydroxyquinoline) Aluminum (III)

Degli Esposti A;Ruani G;Zamboni R
2002

Abstract

The polarized infrared absorption spectra of alpha -sexithienyl single crystal show the Davydov splitting of some intramolecular ungerade phonons. They are analyzed into details considering the perturbation on the molecular force constants due to the solid state interactions within the unit cell. The proposed model allows to identify the effects of the pertubation within the molecular crystal and to estimate the new force constants of the unit cell.
2002
Istituto per la Sintesi Organica e la Fotoreattivita' - ISOF
Istituto per lo Studio dei Materiali Nanostrutturati - ISMN
computer simulation; infrared and Raman spectroscopy
Davydov splitting
molecular crystal
force constants
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/29779
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