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

Academic Article
Publication Date:
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.
Iris type:
01.01 Articolo in rivista
Keywords:
computer simulation; infrared and Raman spectroscopy; Davydov splitting; molecular crystal; force constants
List of contributors:
DEGLI ESPOSTI, Alessandra; Ruani, Giampiero; Zamboni, Roberto
Authors of the University:
RUANI GIAMPIERO
Handle:
https://iris.cnr.it/handle/20.500.14243/29779
Published in:
SYNTHETIC METALS
Journal
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URL

http://www.sciencedirect.com/science/article/pii/S0379677901006348
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