The presence and nature of lignin in biomass can negatively affect processes associated with the biorefinery concept. As such, the modification of lignin by the incorporation of alternate monomers that may facilitate the breakdown of the polymer have been proposed. Using computational chemical methods, the current paper evaluates the energetics associated with cross-coupling of cinnamyl alcohols with proposed monomers, and the subsequent oxidation of the products required for polymer chain growth. Comparisons of these computational results with experiment may allow for the <i>a priori </i>prediction of successful incorporation.

Cross-coupling and oxidation of novel lignin monomers with conventional monolignols

249th National Meeting (2015)

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