Photoionization and Photodissociation of Aromatic Molecules by Vacuum Ultraviolet Radiation

Terenin, A.; Vilessov, F.

doi:10.1002/9780470133323.ch9

Cited by 37 publications

(3 citation statements)

References 36 publications

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“…The derived value of γ e (E) = 0.46 ± 0.06 (68% confidence interval) is found to be in agreement with the value of γ e (E) = 0.5, which was used in a number of articles (e.g., Verstraete et al 1990;Tielens 2005; and derived from older measurements on benzene by Terenin & Vilessov (1964) (see Appendix C.3). For anionic PAHs, it is estimated that all the energy of the photon is transformed into kinetic energy of the electron.…”

Section: Photoelectic Heating Efficiency For Pahssupporting

confidence: 77%

“…A value of γ e (E) = 0.5 has been adopted in the literature (Verstraete et al 1990;Tielens 2005;, based on the photoelectron kinetic spectra obtained for specific incident photon energies on benzene by Terenin & Vilessov (1964). We provide a revised estimate for this parameter based on the photoelectron spectroscopy measurements presented for the coronene molecule in Bréchignac et al (2014).…”

Section: Appendix C3: Partition Coefficientmentioning

confidence: 99%

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Contribution of polycyclic aromatic hydrocarbon ionization to neutral gas heating in galaxies: model versus observations

Berné

Foschino

Jalabert

et al. 2022

A&A

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The ionization of large carbonaceous molecules, i.e., polycyclic aromatic hydocarbons (PAHs), by ultraviolet (UV) photons from massive stars is expected to account for a large fraction of the heating of neutral gas in galaxies. Evaluation of this proposal, however, has been limited by our ability to directly compare observational diagnostics to the results of a molecular model describing PAH ionization. The objective of this article is to take advantage of the most recent values of molecular parameters derived from laboratory experiments and quantum chemical calculations on PAHs and provide a detailed comparison between modeled values and observational diagnostics for the PAH charge state and the heating efficiency for PAHs. Despite the use of a simple analytical model, we obtain a good agreement between model results and observational diagnostics over a wide range of radiation fields and physical conditions, in environments such as star-forming regions, galaxies, and protoplanetary disks. In addition, we found that the modeled photoelectric heating rates by PAHs are close to the observed cooling rates given by the gas emission. These results show that PAH ionization is the main source of neutral gas heating in these environments. The results of our photoelectric heating model by PAHs can thus be used to assess the contribution of UV radiative heating in galaxies (vs e.g. shock). We conclude on the importance of implementing the physics of PAH ionization in astrophysical codes, which are developed, for example, for the evaporating surfaces of protoplanetary disks, the diffuse interstellar medium, and the photodissociation regions associated with star-forming regions in the local and distant universe. We provide the empirical formulas to calculate the heating rates and heating efficiencies for PAHs in this article. The python code for the full model is available at https://gitlab.irap.omp.eu/COSMIC-PAH/photoelectric-heating/tree/master.

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Section: Photoelectic Heating Efficiency For Pahssupporting

confidence: 77%

Section: Appendix C3: Partition Coefficientmentioning

confidence: 99%

Contribution of polycyclic aromatic hydrocarbon ionization to neutral gas heating in galaxies: model versus observations

Berné

Foschino

Jalabert

et al. 2022

A&A

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“…A mass spectrometric method led to values of 8.64 and 7.99 eV for 1c and 2c 1 Calculated Vertical Ionization Potentials (eV) for Some Amines, Along with Literature Values from Gas-Phase Photoelectron Experiments for Comparison (in Italics) b series; X = CHO c series; X = CNamine a series; X = H IPIPΔIP a IPΔIP a 1 7.75 8.08 0.33 8.18 0.43 7.69 , 7.70 , , 8.10 31 2 7.12 7.46 0.34 7.57 0.45 7.14 , 7.6 , 7.45 , 7.70, 7.81 7.86 3 6.81 b 7.22 0.41 7.32 b 0.51 4 6.78 7.09 0.31 7.20 0.42 7.05 31 7.26 41 5 7.21 7.46 0.25 7.56 0.35 6 6.65 6.97 0.32 7.07 0.42 6.86 7 6.20 6.57 0.37 6.66 0.46 8 7.08 7.30 0.22 7.39 0.31 9 7.07 7.31 0.24 7.39 0.32 10 6.68 6.87 0.19 6.97 0.29 11 6.23 6.55 0.32 6.62 0.39 a ΔIP is defined as the difference between the IP of the b or c series compound and that of the corresponding a series compound. b PES data have not been reported for 3a or 3c , but values of 7.20 31 and 7.65 41 eV have been reported for their respective diethylamino analogues. …”

Section: Resultsmentioning

confidence: 99%

Aromatic Amines: A Comparison of Electron-Donor Strengths

et al. 2005

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The electron-donor abilities of ten aminophenyl systems and an additional aminothienyl system are compared using density functional theory calculations. The systems studied here include those with amine nitrogen atoms bearing alkyl or aryl groups and those with amine nitrogen atoms as part of a heterocycle. Their abilities to act as donors in electron-transfer processes are assessed from calculated vertical ionization potentials for the aminobenzenes, which are in good agreement with available experimental data. Their abilities to act as intramolecular pi-electron donors in conjugated systems are inferred from the bond lengths and charge densities calculated for the corresponding 4-aminobenzaldehydes and 4-aminobenzonitriles. The computed (13)C NMR chemical shifts for the 4-aminobenzaldehydes and 4-aminobenzonitriles are in good agreement with published and new experimental data. The chemical shifts correlate well with the computed charge densities and can, to some extent, be used as an experimental probe of pi-donor strength. We find that the electron-transfer-donor strengths do not correlate well with pi-donor strengths: these differences can largely be attributed to steric effects.

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Spectroscopy: Past and present

Schlag

1994

Ber Bunsenges Phys Chem

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We present a review of historical methods in spectroscopy culminating in modern techniques made available by the advent of laser technology. Spectroscopy is undergoing a worldwide renaissance as a result of these methods which point to entire new fields of application. Special examples are given, such as mass spectrometry, very high resolution methods, photoelectron spectroscopy and ZEKE spectroscopy as well as modern ultrafast techniques.

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Photoionization and Photodissociation of Aromatic Molecules by Vacuum Ultraviolet Radiation

Cited by 37 publications

References 36 publications

Contribution of polycyclic aromatic hydrocarbon ionization to neutral gas heating in galaxies: model versus observations

Contribution of polycyclic aromatic hydrocarbon ionization to neutral gas heating in galaxies: model versus observations

Aromatic Amines: A Comparison of Electron-Donor Strengths

Spectroscopy: Past and present

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