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.

中文翻译：

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木质素模型化合物气相热解的自由基和分子产物。肉桂醇

报告了在 400-800 °C 的温度范围内检测和鉴定肉桂醇 (CnA)（最简单的非酚类木质素模型化合物）气相热解的中间体自由基和分子产物的实验结果。低温基质隔离 - 电子顺磁共振 (LTMI-EPR) 实验以及理论计算为中间碳和氧中心以及氧连接的共轭自由基的产生提供了证据。基于密度泛函理论进行机械分析，以解释 CnA 热解主要产物的形成；肉桂醛、茚、苯乙烯、苯甲醛、1-丙炔基苯和2-丙烯基苯。评估的键解离模式和单分子分解途径涉及脱氢，