Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation

TitleUnderstanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation
Publication TypeJournal Article
Year of Publication2018
AuthorsSingh, SKumar, Banerjee, S, Vanka, K, Dhepe, PLaxmikant
JournalCatalysis Today
Volume309
Pagination98-108
Date PublishedJUL
Type of ArticleArticle
AbstractCompared to H2SO4, Bronsted acidic ionic liquid (BAIL, [C3SO3HMIM][HSO4]) catalyzed depolymerization of lignin yielded higher concentration of low molecular weight products under mild conditions (120 degrees C) as proven by GC and GC-MS. To comprehend this disparity in catalytic activity among H2SO4 and BAIL (at similar H+ concentration), experimental techniques [1D(H-1) NMR, 2D(N-15/H-1 HMBC) NMR and RAMAN] have been employed. Based on these studies, it has been proven that the transfer of electron density from substrate to the electron deficient imidazolium ring via formation of hydrogen bond between -OH/OCH3 (substrate) and -N1C2H2N3-(cation) is possible, while the anion plays an important role. Further, density functional theory (DFT) calculations also corroborated this fact by showing a change in the bond angle and decrease in bond length (C-2-H-2 in imidazole), due to the presence of weak and strong hydrogen bonding between the substrate and IL.
DOI10.1016/j.cattod.2017.09.050
Type of Journal (Indian or Foreign)foreign
Impact Factor (IF)4.636
Divison category: 
Catalysis and Inorganic Chemistry
Physical and Materials Chemistry

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