Open AccessTerahertz and Raman spectra of L-threonine
Author(s) -
Weining Wu
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.7640
Subject(s) - raman spectroscopy , materials science , terahertz radiation , crystallite , raman scattering , density functional theory , molecular vibration , x ray raman scattering , absorption spectroscopy , absorption (acoustics) , coherent anti stokes raman spectroscopy , terahertz spectroscopy and technology , spectroscopy , infrared spectroscopy , molecular physics , analytical chemistry (journal) , nuclear magnetic resonance , optics , chemistry , physics , optoelectronics , computational chemistry , organic chemistry , chromatography , quantum mechanics , composite material , metallurgy
The THz absorption within the range of 0.2—2.8 THz6.7—93.2 cm1and Raman scattering spectra within the range of 10—4000 cm1 of polycrystalline L-threonine have been examined with terahertz time-domain spectroscopy THz-TDS and Raman spectroscopy. Infrared spectrum between 400 and 4000 cm1 were also recorded. We assigned the polar and the non-polar vibrational modes of the polycrystalline molecule in the range of both 6.7—93.2 cm-1 and 400—4000 cm-1 based on the theory of space group and the comparison of Raman and absorption spectra. Normal frequency vibrational modes were calculated for the single crystal form using the B3LYP method of density functional theory DFT and 6-311+G** basis set. All the experimental THz absorption peaks and low frequency Raman scattering peaks of polycrystalline L-threonine were assigned.