Synthesis, spectroscopic characterization and DFT calculations of b-O-4 type lignin model compounds

highlights � We propose the new and easy reaction for synthesis of b-O-4 lignin model compounds. � Two model compounds is synthesised and characterize by IR, Mass and NMR spectroscopy. � Density functional theory (DFT) calculations have been carried out. � The results indicates DFT gives satisfactory results for these compounds. � These data will improve methods of synthesis and understanding of paper industry.