Mono-, di-, and tri- tert-butyl ethers of glycerol

MS, NMR, IR and Raman molecular spectroscopy techniques were applied to characterize 3- tert-butoxy-propane-1,2-diol, 1,3-di- tert-butoxy-propan-2-ol, and 1,2,3-tri- tert-butoxy-propane. These ethers are the main products of glycerol etherification reaction and are excellent oxygen additives for die...

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Published in:Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2007-07, Vol.67 (3), p.980-988
Main Authors: Jamróz, Małgorzata E., Jarosz, Małgorzata, Witowska-Jarosz, Janina, Bednarek, Elżbieta, Tęcza, Witold, Jamróz, Michał H., Dobrowolski, Jan Cz, Kijeński, Jacek
Format: Article
Language:English
Subjects:
Biodiesel
DFT
FT-Raman
FTIR
GC–MS
NMR
Tert-butyl ethers of glycerol
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Summary:MS, NMR, IR and Raman molecular spectroscopy techniques were applied to characterize 3- tert-butoxy-propane-1,2-diol, 1,3-di- tert-butoxy-propan-2-ol, and 1,2,3-tri- tert-butoxy-propane. These ethers are the main products of glycerol etherification reaction and are excellent oxygen additives for diesel fuel. Computational DFT/ B3LYP/6-31G ** studies were performed to support and rationalize both vibrational spectroscopy analysis and the isomer ratio.
ISSN:1386-1425
DOI:10.1016/j.saa.2006.09.017