Title :
Terahertz spectroscopy of adenine and adenosine
Author :
Zhang, Feng ; Tominaga, Keisuke ; Nishizawa, Jun-ichi ; Kambara, Ohki ; Sasaki, Tetsuo ; Wang, Houng-Wei ; Hayashi, Michitoshi
Author_Institution :
Grad. Sch. of Sci., Kobe Univ., Kobe, Japan
Abstract :
Solid-state DFT calculations were performed to simulate the spectra of adenine and adenosine polycrystallines at 5 K. Good agreements were obtained for both the samples. Adenine undergoes very pure intermolecular motions as a rigid molecule. Adenosine exerts strongly coupled vibrations between intermolecular and intramolecular motions.
Keywords :
density functional theory; intermolecular mechanics; intramolecular mechanics; molecular biophysics; terahertz wave spectra; vibrational states; adenine; adenosine; coupled vibrations; intermolecular motions; intramolecular motions; rigid molecule; solid-state DFT calculations; spectra; temperature 5 K; terahertz spectroscopy; Crystals; DNA; Discrete Fourier transforms; Educational institutions; Geometry; Temperature measurement; Vibrations;
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.2012.6380157
