Zhuan-Ping, Zheng, Wen-Hui Fan, Hui Li, Jie Tang
Abstract
The terahertz absorption spectra of anhydrous and monohydrated glucose have been investigated and compared by using THz spectroscopy and solid-sate density functional theory. The unrevealed mechanism of THz spectral differences of both materials measured has been analyzed based on the crystalline structure. Solid-state calculations of the THz characteristic spectra using Perdew–Burke–Ernzerhof functional have provided the satisfactory spectral reproduction for these two materials. It is found that the characterized features of monohydrated glucose mainly come from the intermolecular modes of water–glucose and glucose–glucose molecules, while those of anhydrous glucose origin from the interactions of glucose molecules.
This study was performed using TeraView's TPS Spectra 3000 system. (TeraView, Cambridge, UK)
Abstract
The terahertz absorption spectra of anhydrous and monohydrated glucose have been investigated and compared by using THz spectroscopy and solid-sate density functional theory. The unrevealed mechanism of THz spectral differences of both materials measured has been analyzed based on the crystalline structure. Solid-state calculations of the THz characteristic spectra using Perdew–Burke–Ernzerhof functional have provided the satisfactory spectral reproduction for these two materials. It is found that the characterized features of monohydrated glucose mainly come from the intermolecular modes of water–glucose and glucose–glucose molecules, while those of anhydrous glucose origin from the interactions of glucose molecules.This study was performed using TeraView's TPS Spectra 3000 system. (TeraView, Cambridge, UK)
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