Vibrational spectra of guaiacylglycerol-β-guaiacyl ether: Experiment and theory
作者： Tong-fu Su , Rong Huang , Ya-qiong Su , Guo-zhong Zhao , De-yin Wu
DOI: 10.1016/J.SAA.2014.12.052
关键词:
摘要: Abstract As an important inter-unit of lignin, guaiacylglycerol-β-guaiacyl (GG) ether has been synthesized, and characterized using terahertz time-domain spectroscopy in the frequency range 5–85 cm −1 . Seven absorption peaks have observed. Among these peaks, 49.8 cm 57.6 cm vibrations are propose to be characteristic GG ether. Raman spectra were also measured 50–3500 cm The two lowest energy forms, i.e., erythro 1r4s threo 1s4s, calculated density functional theory at B3LYP/6-311G ∗∗ level assigned according potential distribution. In addition, contents forms sample could estimated by comparing waveform similarities between theoretical observed curves 33.0–80.0 cm range. Results showed that curve is a combination 1s4r 1s4s. four below 33.0 cm phonon, inter-molecular modes and/or hydrogen bond vibrations. Terahertz spectra, together with calculations, powerful methods for predicting different isomers sample.
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TLJ Chan, JE Bjarnason, AWM Lee, MA Celis, ER Brown, None, Attenuation contrast between biomolecular and inorganic materials at terahertz frequencies Applied Physics Letters. ,vol. 85, pp. 2523- 2525 ,(2004) , 10.1063/1.1794858
John Ralph, John H. Grabber, Dimeric ß-Ether Thioacidolysis Products Resulting from Incomplete Ether Cleavage Holzforschung. ,vol. 50, pp. 425- 428 ,(1996) , 10.1515/HFSG.1996.50.5.425
Kiki L. Larsen, Søren Barsberg, Theoretical and Raman spectroscopic studies of phenolic lignin model monomers. Journal of Physical Chemistry B. ,vol. 114, pp. 8009- 8021 ,(2010) , 10.1021/JP1028239
Christina Bohlin, Knut Lundquist, Leif J. Jönsson, Oxidation of the erythro and threo forms of the phenolic lignin model compound 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol by laccases and model oxidants Bioorganic Chemistry. ,vol. 37, pp. 143- 148 ,(2009) , 10.1016/J.BIOORG.2009.07.001
Damien Bigourd, Arnaud Cuisset, Francis Hindle, Sophie Matton, Eric Fertein, Robin Bocquet, Gaël Mouret, Detection and quantification of multiple molecular species in mainstream cigarette smoke by continuous-wave terahertz spectroscopy. Optics Letters. ,vol. 31, pp. 2356- 2358 ,(2006) , 10.1364/OL.31.002356
Peter Pulay, Geza Fogarasi, Frank Pang, James E. Boggs, Systematic AB Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives Journal of the American Chemical Society. ,vol. 101, pp. 2550- 2560 ,(1979) , 10.1021/JA00504A009
Fachuang Lu, John Ralph, Derivatization Followed by Reductive Cleavage (DFRC Method), a New Method for Lignin Analysis: Protocol for Analysis of DFRC Monomers Journal of Agricultural and Food Chemistry. ,vol. 45, pp. 2590- 2592 ,(1997) , 10.1021/JF970258H
Tong-fu Su, Xin-feng Jia, Guo-zhong Zhao, Pengyu Han, Yu-jie Wang, Yongliang Li, Bin Zhou, Chao-peng Song, Jian-feng Chang, Chang-rong Gong, Characterization of original and expanded leaf-roots of tobacco by terahertz spectroscopy and X-ray microanalysis Materials Letters. ,vol. 62, pp. 2779- 2782 ,(2008) , 10.1016/J.MATLET.2008.01.043
O. Lanzalunga, M. Bietti, Photo- and radiation chemical induced degradation of lignin model compounds. Journal of Photochemistry and Photobiology B-biology. ,vol. 56, pp. 85- 108 ,(2000) , 10.1016/S1011-1344(00)00054-3
Reichel Samuel, Yunqiao Pu, Babu Raman, Arthur J. Ragauskas, Structural characterization and comparison of switchgrass ball-milled lignin before and after dilute acid pretreatment. Applied Biochemistry and Biotechnology. ,vol. 162, pp. 62- 74 ,(2010) , 10.1007/S12010-009-8749-Y