An experimental study of indene pyrolysis with synchrotron vacuum ultraviolet photoionization mass spectrometry

Jin, Hanfeng; Yang, Jiuzhong; Xing, Lili; Hao, Junyu; Zhang, Yan; Cao, Chuangchuang; Pan, Yang; Farooq, Aamir

doi:10.1039/c8cp07285j

Cited by 22 publications

(9 citation statements)

References 64 publications

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“…Acenaphthylene and ethynylnaphthalene are C 12 H 8 isomers commonly detected in rich combustion and pyrolysis of hydrocarbons 5,68,70,78,79 . Their PICSs have not been reported in the literature.…”

Section: Resultsmentioning

confidence: 99%

“…Photoionization mass spectrometry (PIMS) has been used extensively for the analysis of organic molecules, 1,2 and for combustion studies in recent years 3–7 . In traditional electron ionization (EI) mass spectrometry of complex mixtures, typically carried out at an electron energy of 70 eV, a large number of peaks overlap including precursor ion and fragment ion signals.…”

Section: Introductionmentioning

confidence: 99%

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Determination of absolute photoionization cross‐sections of some aromatic hydrocarbons

Jin

Yang

Farooq

2020

Rapid Comm Mass Spectrometry

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Rationale: Aromatic hydrocarbons play an important role in the formation and growth of polycyclic aromatic hydrocarbon (PAH) and soot particles. Measurements of their absolute photoionization cross-sections (PICSs), that benefit the quantitative investigation of mass spectrometry, are still lacking, however. Methods: PICSs of some aromatic hydrocarbons were measured with tunable synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Nitric oxide and benzene were chosen as standard references for PICS calibration, since their photoionization cross-sections are well documented in the literature. Binary liquid mixtures of the investigated molecules and their specific solvents were used in the measurements. Results: The investigated aromatics include naphthalene, phenanthrene, 1-methylnaphthalene, indene, 2-/3-/4-methylphenylacetylene, 2-methylindene, diphenylacetylene, 1-/2-ethynylnaphthalene and acenaphthylene. Photo-induced fragments from the molecules were also observed with increasing photon energy. Conclusions: Based on our measurements and literature data, PICSs of most aromatic molecules have very similar values beyond their ionization energies. However, molecules that contain the phenylacetylene structure have PICSs higher than other aromatics.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Determination of absolute photoionization cross‐sections of some aromatic hydrocarbons

Jin

Yang

Farooq

2020

Rapid Comm Mass Spectrometry

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“…Fortunately, sophisticated mass spectrometry (MS) techniques, such as tandem MS 1 , HPLC/UV/MS 19 , and synchrotron vacuum ultraviolet photoionization MS 20 , have been employed for identifying the molecular structure of PAHs precursor to form soot or carbonaceous deposits during hydrocarbon combustion and pyrolysis processes. However, given the diverse isomers of each specified mass, accurate molecular structures are rather difficult to be fingerprinted, and their structural confirmation normally necessitates reference standards or predetermined/published UV spectra 19,21 .…”

mentioning

confidence: 99%

Molecular elucidating of an unusual growth mechanism for polycyclic aromatic hydrocarbons in confined space

et al. 2020

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Extension and clustering of polycyclic aromatic hydrocarbons (PAHs) are key mechanistic steps for coking and deactivation in catalysis reactions. However, no unambiguous mechanistic picture exists on molecule-resolved PAHs speciation and evolution, due to the immense experimental challenges in deciphering the complex PAHs structures. Herein, we report an effective strategy through integrating a high resolution MALDI FT-ICR mass spectrometry with isotope labeling technique. With this strategy, a complete route for aromatic hydrocarbon evolution is unveiled for SAPO-34-catalyzed, industrially relevant methanol-to-olefins (MTO) as a model reaction. Notable is the elucidation of an unusual, previously unrecognized mechanistic step: cage-passing growth forming cross-linked multicore PAHs with graphene-like structure. This mechanistic concept proves general on other cage-based molecule sieves. This preliminary work would provide a versatile means to decipher the key mechanistic step of molecular mass growth for PAHs involved in catalysis and combustion chemistry.

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“…It is the first species containing a six-carbon ring in this model, other than benzene or the phenyl radical suggested by the well-known HACA mechanism . Although the stable indene molecule has been detected in combustion and pyrolysis processes, − there have been only a few reports on the detection of the indenyl radical by vacuum ultraviolet (VUV) photoionization mass spectrometry. ,− However, a quantitative determination of the abundance of the reactive indenyl radical is still limited by the lack of an accurate photoionization cross section . Optical diagnostics based on molecular spectroscopy are well-suited for fundamental and application studies of radicals because they are nonintrusive and molecule-specific and allow for good temporal and spatial resolution. − However, for the indenyl radical, the only available optical absorption data were obtained in a 4 K neon matrix, which because of the effect of the matrix on the molecular geometry of the chromophore cannot be directly used for in situ diagnostics of gas-phase processes.…”

Section: Introductionmentioning

confidence: 99%

Gas-Phase Optical Spectra of the Indenyl Radical and Its Quantitative Detection in a Jet-Stirred Reactor

Xiao

Dong

et al. 2022

J. Phys. Chem. A

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Resonance-stabilized radicals (RSRs), such as the indenyl radical (C 9 H 7 ), are proposed to be initiator radicals in soot inception and growth in hydrocarbon combustion processes, but spectroscopic data for many RSRs are still lacking. In this work, the gas-phase optical absorption spectra of the B ̃2A 2 −X ̃2A 2 electronic transition of indenyl were identified in a supersonic indene/argon plasma jet. Spectroscopic parameters, including the transition energy, rotational constants, and upper-state lifetime broadening, were obtained from analysis of the experimental spectra. The results were readily applied to the quantitative detection of indenyl produced from high-temperature reactions in a jet-stirred reactor. This study now makes indenyl optically accessible in further reaction kinetics studies and in situ spectroscopic diagnostics of hydrocarbon combustion processes.

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An experimental study of indene pyrolysis with synchrotron vacuum ultraviolet photoionization mass spectrometry

Abstract: Formation of polycyclic aromatic hydrocarbons driven by indenyl reactions is experimentally measured by synchrotron vacuum ultraviolet photoionization mass spectrometry.

Cited by 22 publications

References 64 publications

Determination of absolute photoionization cross‐sections of some aromatic hydrocarbons

Determination of absolute photoionization cross‐sections of some aromatic hydrocarbons

Molecular elucidating of an unusual growth mechanism for polycyclic aromatic hydrocarbons in confined space

Gas-Phase Optical Spectra of the Indenyl Radical and Its Quantitative Detection in a Jet-Stirred Reactor

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