Study on Terahertz and Infrared Characteristic Absorption Spectra of Solid-State Fructose
SONG Chao1, 2, DING Ling1, 2, FAN Wen-hui1*
1. State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an 710119, China
2. University of Chinese Academy of Sciences, Beijing 100049, China
Abstract：As a simple ketonic monosaccharide, fructose can be found in honey and many plants. Along with glucose and galactose, fructose is one of the three dietary monosaccharides and is usually bonded to glucose to form the disaccharide sucrose. Pure fructose is white crystal at room temperature and has been widely used in the food industry due to its high sweetness and low glycemic index. So far, studies on terahertz (THz) and infrared (IR) characteristics absorption spectra of the solid-state fructose are mostly confined to the simple measurement or theoretical calculation based on isolated-molecules calculation. Therefore, the THz spectra and IR spectra of solid-state fructose have been studied theoretically and experimentally in this paper. We reported the experimental absorption features of solid-state fructose beyond 3.0 THz for the first time to our knowledge. To reproduce the measured THz spectra and IR spectra of solid-state fructose, the theoretical calculations, such as MP2 and B3LYP based on isolated-molecules as well as PBE and PW91 based on unit cells, have been carried out, respectively. The calculated results showed that the PBE and PW91 calculations based on unit cells achieve better reproduction of absorption spectra of solid-state fructose than the MP2 and B3LYP calculations based on isolated-molecules, indicating the stronger influence of the intermolecular interactions for solid-state fructose compared to the intramolecular interactions for solid-state fructose, which reveals the significant effect of the surrounding environment on the vibration modes of solid-state fructose.
宋 超，丁 玲，范文慧. 固相果糖的太赫兹及红外特征吸收谱研究[J]. 光谱学与光谱分析, 2018, 38(09): 2700-2705.
SONG Chao, DING Ling, FAN Wen-hui. Study on Terahertz and Infrared Characteristic Absorption Spectra of Solid-State Fructose. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(09): 2700-2705.
[1] Zheng Z P, Fan W H, Liang Y Q, et al. Optics Communications, 2012, 285(7): 1868.
[2] Song M, Yang F, Liu L, et al. Journal of Nanoscience and Nanotechnology, 2016, 16(12): 12208.
[3] King M D, Buchanan W D, Korter T M. Journal of Pharmaceutical Sciences, 2011, 100(3): 1116.
[4] Ding L, Fan W H, Chen X, et al. Modern Physics Letters B, 2017, 31(13): 1750149.
[5] Brahim H, Daniel C. Computational and Theoretical Chemistry, 2014, 1040(10): 219.
[6] Fug F, Rohe K, Vargas J, et al. Polymer, 2016, 99: 671.
[7] Cortez-Valadez M, Fierro C, Farias-Mancilla J R, et al. Chemical Physics, 2016, 472: 81.
[8] Esme A, Sagdinc S G. Acta Physica Polonica A, 2016, 130(6): 1273.
[9] Zhang R, McEwen J S, Kollr M, et al. ACS Catalysis, 2014, 4(11): 4093.
[10] King M D, Ouellette W, Korter T M. The Journal of Physical Chemistry A, 2011, 115(34): 9467.
[11] Wang Q, Wang H L. Chemical Physics Letters, 2012, 534(5): 72.
[12] Zheng Z P, Fan W H, Li H, et al. Journal of Molecular Spectroscopy, 2014, 296(4): 9.
