The vibrational spectra and far-infrared (IR) absorption of DAST crystal have been investigated by first-principles calculations. The calculated vibrational frequencies have been overestimated and frequency interval have been divided on two-parts: the low-frequency region where lattice phonon modes are the most important and the high-frequency region with main intramolecular contribution in IR absorption intensity.
Far-infrared absorption of DAST: theoretical study
2005-01-01
379893 byte
Conference paper
Electronic Resource
English
MC5-49 Far-Infrared Absorption of DAST: Theoretical Study
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