Single crystals of pentacene with different morphologies (polymorphs C and H) have been studied by Raman spectroscopy as a function of temperature from 79 to 300 K. All Raman active lattice modes and a range of low-frequency intramolecular modes have been identified and assigned. The experiments are compared with quasi harmonic lattice dynamics (QHLD) calculations of the crystallographic structures and vibrational frequencies as a function of temperature. Experiments and calculations both indicate that the two polymorphs are stable over a wide temperature range.
Intramolecular and Low-Frequency Intermolecular Vibrations of Pentacene Polymorphs as a Function of Temperature / DELLA VALLE, R. G.; Venuti, E; Farina, L; Brillante, A; Masino, Matteo; Girlando, Alberto. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - 108:(2004), pp. 1822-1826. [10.1021/jp0354550]
Intramolecular and Low-Frequency Intermolecular Vibrations of Pentacene Polymorphs as a Function of Temperature
MASINO, Matteo;GIRLANDO, Alberto
2004-01-01
Abstract
Single crystals of pentacene with different morphologies (polymorphs C and H) have been studied by Raman spectroscopy as a function of temperature from 79 to 300 K. All Raman active lattice modes and a range of low-frequency intramolecular modes have been identified and assigned. The experiments are compared with quasi harmonic lattice dynamics (QHLD) calculations of the crystallographic structures and vibrational frequencies as a function of temperature. Experiments and calculations both indicate that the two polymorphs are stable over a wide temperature range.| File | Dimensione | Formato | |
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