Analysis of vibrational spectra of solid-state adenine and adenosine in the terahertz region

• DOI: 10.1039/c3ra44285c
• Publication Date: 2013-10-03T14:32:44Z
• Authors: Feng Zhang; Ohki Kambara; Keisuke Tominaga; Jun-ichi Nishizawa; Tetsuo Sasaki; Houng-Wei Wang; Michitoshi Hayashi
• Keywords: Glycosidic bond; Rotational–vibrational coupling

The low-frequency vibrations of crystalline adenine and adenosine were studied by 5 K terahertz (THz) spectroscopy solid-state density functional theory (DFT) based on a harmonic model. accuracy the calculations was assessed from aspects frequencies isotope shifts. anharmonicity potential surface discussed observing thermal shift sequence bands. An analytical method proposed for quantifying contributions intermolecular intramolecular motions to normal modes. Adenine exhibited weak coupling between vibrations. ribose moieties adenosine, which are linked through glycosidic bond, showed intense relative strongly coupled with This finding reveals that has high flexibility, arises bond. experimental further identify or