Mono-, di-, and tri-tert-butyl ethers of glycerol. A molecular spectroscopic study |
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Authors: | Jamróz Ma?gorzata E Jarosz Ma?gorzata Witowska-Jarosz Janina Bednarek Elzbieta Tecza Witold Jamróz Micha? H Dobrowolski Jan Cz Kijeński Jacek |
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Institution: | Industrial Chemistry Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland. Malgorzata.Jamroz@ichp.pl |
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Abstract: | 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. |
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