Experimental evidence for indene formation from o-methylphenyl radical + C2H2/C2H4 reactions

IF 5.2 2区工程技术 Q2 ENERGY & FUELS

Proceedings of the Combustion Institute Pub Date : 2025-01-01 DOI:10.1016/j.proci.2025.105859

Zhaohan Chu , Zhongkai Liu , Changyang Wang , Long Zhao , Bin Yang

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引用次数: 0

Abstract

An experimental study was conducted to investigate the weight growth routes from o-methylphenyl radical (o-CH₃C₆H₄) to indene. o-Nitrosotoluene served as the precursor for o-methylphenyl radicals in this study. Co-pyrolysis of o-methylphenyl radical/C₂H₂ and o-methylphenyl radical/C₂H₄ was investigated utilizing the chemical microreactor and synchrotron vacuum ultraviolet photoionization mass spectrometry. Sampled mass-specific photoionization efficiency (PIE) curves were employed to identify the aromatic species, elucidating interactions between o-methylphenyl radicals and C₂ species. The species detected at m/z = 116 and 118, essential for understanding the reaction mechanism, were identified via matching photoionization cross-sections and adiabatic ionization energies with literature and theoretical values. Specifically, indene and its isomer o-methylphenylacetylene (m/z = 116) were determined in the reaction of o-methylphenyl radical with C₂H₂, while indene and o-methylstyrene (m/z = 118) were identified in the reaction of o-methylphenyl radical with C₂H₄. By combining the identified intermediate species with previous literature basis, the formation pathways for indene, originating from o-methylphenyl radical were discussed in both reaction systems, providing further insights for understanding the indene formation pathways.

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邻甲基苯基自由基+ C2H2/C2H4反应生成茚的实验证据

通过实验研究了邻甲基苯基自由基（o-CH3C6H4）生成吲哚的增重途径。邻亚硝基甲苯作为邻甲基苯基自由基的前体。利用化学微反应器和同步加速器真空紫外光电离质谱技术研究了邻甲基苯基自由基/C2H2和邻甲基苯基自由基/C2H4的共热解过程。采用采样的质量比光离效率（PIE）曲线来鉴定芳香族物质，阐明邻甲基苯基自由基与C2物质之间的相互作用。在m/z = 116和118处检测到的物质是理解反应机理所必需的，通过将光电离截面和绝热电离能与文献和理论值相匹配来确定。其中，在邻甲基苯基自由基与C2H2的反应中，鉴定出茚和邻甲基苯基乙炔（m/z = 116）；在邻甲基苯基自由基与C2H4的反应中，鉴定出茚和邻甲基苯乙烯（m/z = 118）。结合已鉴定的中间产物与文献基础，讨论了两种反应体系中源自邻甲基苯基自由基的吲哚烯的生成途径，为进一步了解吲哚烯的生成途径提供了新的思路。

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来源期刊

Proceedings of the Combustion Institute 工程技术-工程：化工

CiteScore

7.00

自引率

0.00%

发文量

420

审稿时长

3.0 months

期刊介绍： The Proceedings of the Combustion Institute contains forefront contributions in fundamentals and applications of combustion science. For more than 50 years, the Combustion Institute has served as the peak international society for dissemination of scientific and technical research in the combustion field. In addition to author submissions, the Proceedings of the Combustion Institute includes the Institute''s prestigious invited strategic and topical reviews that represent indispensable resources for emergent research in the field. All papers are subjected to rigorous peer review. Research papers and invited topical reviews; Reaction Kinetics; Soot, PAH, and other large molecules; Diagnostics; Laminar Flames; Turbulent Flames; Heterogeneous Combustion; Spray and Droplet Combustion; Detonations, Explosions & Supersonic Combustion; Fire Research; Stationary Combustion Systems; IC Engine and Gas Turbine Combustion; New Technology Concepts The electronic version of Proceedings of the Combustion Institute contains supplemental material such as reaction mechanisms, illustrating movies, and other data.