Mono-, di-, and tri-tert-butyl ethers of glycerol. A molecular spectroscopic study.
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.
Jamróz
Małgorzata E
ME
Industrial Chemistry Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland. Malgorzata.Jamroz@ichp.pl
Jarosz
Małgorzata
M
Witowska-Jarosz
Janina
J
Bednarek
Elzbieta
E
Tecza
Witold
W
Jamróz
Michał H
MH
Dobrowolski
Jan Cz
JC
Kijeński
Jacek
J
D002849:Chromatography, Gas; D005019:Ethyl Ethers / Q000032:analysis* / Q000737:chemistry; D008401:Gas Chromatography-Mass Spectrometry; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D008738:Methyl Ethers / Q000032:analysis* / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
D005019:Ethyl Ethers; D008738:Methyl Ethers; C043243:methyl tert-butyl ether; C098546:ethyl tert-butyl ether