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Dr. Taejin Kim, Dr. Rajeev S. Assary, Dr. Christopher L. Marshall, Dr. David J. Gosztola, Dr. Larry A. Curtiss and Prof. Peter C. Stair Acid-Catalyzed Furfuryl Alcohol Polymerization: Characterizations of Molecular Structure and Thermodynamic Properties ChemCatChem 3

Article first published online: 22 JUL 2011 | DOI: 10.1002/cctc.201100098

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I′m with the band: The strong aliphatic C[DOUBLE BOND]C band (1654 cm−1) observed in the measured Raman spectra is crucial evidence to understand the polymerization reaction mechanism (see figure). The formation of a conjugated diene structure instead of a diketone structure is involved in the furfuryl alcohol polymerization reaction. The B3LYP level of theory also indicates that the formation of diene is preferred over the formation of diketone.

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