Title :
Assignment of low-frequency vibrational modes of coumarin-3-carboxylic acid
Author :
Kambara, Ohki ; Sasaki, Tetsuo ; Tominaga, Keisuke ; Nishizawa, Jun-ichi
Author_Institution :
Semicond. Res. Inst., Sophia Univ., Tokyo, Japan
Abstract :
Low-frequency spectra of non-isotopic/deuterated coumarin-3-carboxylic acid under 200 cm-1 was obtained by terahertz (THz) spectroscopy and was compared with calculated harmonic frequencies from DFT calculation with periodic systems to reveal mode assignment of the molecule in THz region.
Keywords :
density functional theory; organic compounds; terahertz wave spectra; vibrational states; DFT; THz spectra; deuterated coumarin-3-carboxylic acid; low-frequency spectra; low-frequency vibrational modes; nonisotopic coumarin-3-carboxylic acid; periodic systems; terahertz spectroscopy; Atomic clocks; Frequency estimation;
Conference_Titel :
Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), 2012 37th International Conference on
Conference_Location :
Wollongong, NSW
Print_ISBN :
978-1-4673-1598-2
Electronic_ISBN :
2162-2027
DOI :
10.1109/IRMMW-THz.2012.6380336
