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National Institute of Environmental Health Sciences

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Publication Detail

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

Authors: Khachatryan, Lavrent; Xu, Meng-Xia; Wu, Ang-Jian; Pechagin, Mikhail; Asatryan, Rubik

Published In J Anal Appl Pyrolysis, (2016 Sep)

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.

PubMed ID: 28344372 Exiting the NIEHS site

MeSH Terms: No MeSH terms associated with this publication

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