Determination of absolute photoionization cross sections for isomers of C3H5: allyl and 2-propenyl radicals

Robinson, Jason C.; Sveum, Niels E.; Neumark, Daniel M.

doi:10.1016/j.cplett.2003.11.075

Cited by 77 publications

(68 citation statements)

References 24 publications

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“…In some cases, i.e. radical species, it is very difficult to accurately measure ionization cross sections, and only limited reliable data are available [125][126][127].…”

Section: Quantitative Analysis: Electron and Photoionization Cross Sementioning

confidence: 99%

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Hansen

Cool

Westmoreland

et al. 2009

Progress in Energy and Combustion Science

335

261

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a b s t r a c tFlame-sampling molecular-beam mass spectrometry of premixed, laminar, low-pressure flat flames has been demonstrated to be an efficient tool to study combustion chemistry. In this technique, flame gases are sampled through a small opening in a quartz probe, and after formation of a molecular beam, all flame species are separated using mass spectrometry. The present review focuses on critical aspects of the experimental approach including probe sampling effects, different ionization processes, and mass separation procedures. The capability for isomer-resolved flame species measurements, achievable by employing tunable vacuum-ultraviolet radiation for single-photon ionization, has greatly benefited flame-sampling molecular-beam mass spectrometry. This review also offers an overview of recent combustion chemistry studies of flames fueled by hydrocarbons and oxygenates. The identity of a variety of intermediates in hydrocarbon flames, including resonantly stabilized radicals and closed-shell intermediates, is described, thus establishing a more detailed understanding of the fundamentals of molecular-weight growth processes. Finally, molecular-beam mass-spectrometric studies of reaction paths in flames of alcohols, ethers, and esters, which have been performed to support the development and validation of kinetic models for bio-derived alternative fuels, are reviewed.

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“…In some cases, i.e. radical species, it is very difficult to accurately measure ionization cross sections, and only limited reliable data are available [125][126][127].…”

Section: Quantitative Analysis: Electron and Photoionization Cross Sementioning

confidence: 99%

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Hansen

Cool

Westmoreland

et al. 2009

Progress in Energy and Combustion Science

335

261

View full text Add to dashboard Cite

show abstract

“…To keep near-threshold ionization and avoid fragmentation, we scan the burner position at some selected photon energies mentioned above. Photoionization cross sections of some flame species are available for mole fraction calculations [25][26][27][28][29][30][31][32][33]. For those hydrocarbon intermediates with unknown photoionization cross sections, a method reported by Koizumi is used to estimate cross section values [34].…”

Section: Mole Fraction Profilesmentioning

confidence: 99%

An experimental and kinetic modeling study of a premixed nitromethane flame at low pressure

Tian¹,

Zhang²,

Li³

et al. 2009

Proceedings of the Combustion Institute

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“…To this end, absolute photoionization cross sections have been determined for a significant number of stable species, [5][6][7][9][10][11] and in recent years new techniques have also been developed to determine the absolute photoionization cross sections for reactive, ephemeral species such as free radicals. [12][13][14][15][16][17][18][19][20] Nevertheless, there remains a significant interest in developing simple rules to estimate photoionization cross sections, 21,22 and in understanding ionization quantum yields near threshold. 23 For the most part, however, these methods assume that direct photoionization processes dominate the cross section, 21,22 and that resonant phenomena, such as autoionization and shape resonances, are not very important.…”

Section: Introductionmentioning

confidence: 99%

Near-threshold shape resonance in the photoionization of 2-butyne

Jacovella

Ruščić

et al. 2012

The Journal of Chemical Physics

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Photoelectron velocity map imaging is combined with one- and two-photon ionization to study the near threshold photoionization of the 2-butyne molecule. In this region, the photoabsorption and photoionization cross sections display a very intense broad feature that is assigned to an l = 4, π(g) shape resonance. The effect of this shape resonance on the vibrational branching ratios and photoelectron angular distributions is explored. Theoretical calculations of the photoionization cross section and photoelectron angular distributions are in good agreement with the experiments. The results for 2-butyne are compared with those of acetylene, propyne, and 1-butyne, none of which show such significant enhancements near threshold, and the differences are rationalized in terms of the symmetries and orbital angular momenta of the highest occupied orbitals and the corresponding shape resonances. Expectations for larger alkynes and alkynyl radicals are also discussed. A preliminary measurement of the ionization energy of the 2-butyne dimer is also presented.

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Determination of absolute photoionization cross sections for isomers of C3H5: allyl and 2-propenyl radicals

Cited by 77 publications

References 24 publications

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

An experimental and kinetic modeling study of a premixed nitromethane flame at low pressure

Near-threshold shape resonance in the photoionization of 2-butyne

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