Reactivity of lignin and lignans: Correlation with molecular orbital calculations

Abstract

To date, and as can be seen from the other chapters of this text, the structure and chemistry of lignin have been described in terms of results from a wide range of chemical or spectroscopic methods to construct a mosaic picture of the polymer. The current chapter continues this process by describing past, present and potential applications of electronic structure calculations to the chemistry of lignin, and correlation with experimental results.

Citation

Elder, T. and Fort, Raymond C. (2010). Reactivity of lignin - correlation with molecular orbital calculations. In: Heitner, Cyril; Dimmel, Donald R.; Schmidt, John A. eds.Lignin and Lignans: Advances in Chemistry. Boca Raton, FL: CRC Press. 321-347.