Title :
Numerical calculations of the Frequency Spectra of naphthalene and 1,4-dihydroxynaphthalene in the 0.5-to 6 terahertz region
Author :
Ponseca, C. ; Estacio, E. ; Cadatal, M. ; Pobre, R. ; Quiroga, R. ; Murakami, H. ; Ono, S. ; Sarukura, N. ; Nishizawa, J. ; Suto, K. ; Sasaki, T. ; Tanno, T. ; Tominaga, K.
Author_Institution :
Inst. for Mol. Sci., Okazaki
Abstract :
Semi-empirical calculations successfully predicted the terahertz (THz) absorption spectrum associated with intra- and intermolecular interactions in 1,4-dihydroxynaphthalene. Results are in excellent agreement with actual spectroscopy data in the 0.5-6 THz region using GaP THz source.
Keywords :
organic compounds; submillimetre wave spectra; 1,4-dihydroxynaphthalene; frequency 0.5 THz to 6 THz; intermolecular interactions; intramolecular interactions; naphthalene; semiempirical calculations; terahertz absorption spectrum; Absorption; Chemicals; Computational efficiency; Concurrent computing; Frequency; Infrared spectra; Spectroscopy; Submillimeter wave technology; Tunable circuits and devices; Vibrations;
Conference_Titel :
Lasers and Electro-Optics - Pacific Rim, 2007. CLEO/Pacific Rim 2007. Conference on
Conference_Location :
Seoul
Print_ISBN :
978-1-4244-1173-3
Electronic_ISBN :
978-1-4244-1174-0
DOI :
10.1109/CLEOPR.2007.4391305
