Terahertz spectroscopy of adenine and adenosine

摘要

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.