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.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Chromatography, Gas
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Ethyl Ethers / analysis*
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Ethyl Ethers / chemistry
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Gas Chromatography-Mass Spectrometry
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Magnetic Resonance Spectroscopy*
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Mass Spectrometry*
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Methyl Ethers / analysis*
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Methyl Ethers / chemistry
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Spectrophotometry, Infrared*
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Spectroscopy, Fourier Transform Infrared*
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Spectrum Analysis, Raman*
Substances
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Ethyl Ethers
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Methyl Ethers
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methyl tert-butyl ether
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ethyl tert-butyl ether