Radicals and molecular products from the gas-phase pyrolysis of lignin model compounds. Cinnamyl alcohol

Lavrent Khachatryan, Meng Xia Xu, Ang Jian Wu, Mikhail Pechagin, Rubik Asatryan

Research output: Journal PublicationArticlepeer-review

18 Citations (Scopus)

Abstract

The experimental results on detection and identification of intermediate radicals and molecular products from gas-phase pyrolysis of cinnamyl alcohol (CnA), the simplest non-phenolic lignin model compound, over the temperature range of 400-800 °C are reported. The low temperature matrix isolation - electron paramagnetic resonance (LTMI-EPR) experiments along with the theoretical calculations, provided evidences on the generation of the intermediate carbon and oxygen centered as well as oxygen-linked, conjugated radicals. A mechanistic analysis is performed based on density functional theory to explain formation of the major products from CnA pyrolysis; cinnamaldehyde, indene, styrene, benzaldehyde, 1-propynyl benzene, and 2-propenyl benzene. The evaluated bond dissociation patterns and unimolecular decomposition pathways involve dehydrogenation, dehydration, 1,3-sigmatropic H-migration, 1,2-hydrogen shift, C-O and C-C bond cleavage processes.

Original languageEnglish
Pages (from-to)75-83
Number of pages9
JournalJournal of Analytical and Applied Pyrolysis
Volume121
DOIs
Publication statusPublished - 1 Sep 2016
Externally publishedYes

Keywords

  • Biomass
  • EPR
  • Renewable fuel
  • Spin trapping
  • Theoretical calculations

ASJC Scopus subject areas

  • Analytical Chemistry
  • Fuel Technology

Fingerprint

Dive into the research topics of 'Radicals and molecular products from the gas-phase pyrolysis of lignin model compounds. Cinnamyl alcohol'. Together they form a unique fingerprint.

Cite this