Application of THz Vibrational Spectroscopy to Molecular Characterization and the Theoretical Fundamentals: An Illustration Using Saccharide Molecules
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- 作者：Dr. Feng Zhang ; Dr. Houng-Wei Wang ; Prof. Dr. Keisuke Tominaga ; Prof. Dr. Michitoshi Hayashi ; Prof. Dr. Tomohisa Hasunuma and Prof. Dr. Akihiko Kondo
- 刊名：Chemistry – An Asian Journal
- 出版年：2017
- 出版时间：February 1, 2017
- 年：2017
- 卷：12
- 期：3
- 页码：324-331
- 全文大小：1296K
- ISSN：1861-471X
文摘
This work illustrates several theoretical fundamentals for the application of THz vibrational spectroscopy to molecular characterization in the solid state using two different types of saccharide systems as examples. Four subjects have been specifically addressed: (1) the qualitative differences in the molecular vibrational signatures monitored by THz and mid-IR vibrational spectroscopy; (2) the selection rules for THz vibrational spectroscopy as applied to crystalline and amorphous systems; (3) a normal mode simulation, using α-l-xylose as an example; and (4) a rigorous mode analysis to quantify the percentage contributions of the intermolecular and intramolecular vibrations to the normal mode of interest.