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1. Photoelectron photofragment coincidence spectroscopy of aromatic carboxylates: benzoate and p -coumarate

   https://doi.org/10.1039/d1cp02972j  

   Gibbard, J. A. ; Castracane, E. ; Krylov, A. I. ; Continetti, R. E. ( September 2021 , Physical Chemistry Chemical Physics)

   null (Ed.)

   Photoelectron–photofragment coincidence spectroscopy was used to study the dissociation dynamics of the conjugate bases of benzoic acid and p -coumaric acid. Upon photodetachment at 266 nm (4.66 eV) both aromatic carboxylates undergo decarboxylation, as well as the formation of stable carboxyl radicals. The key energetics are computed using high-level electronic structure methods. The dissociation dynamics of benzoate were dominated by a two-body DPD channel resulting in CO 2 + C 6 H 5 + e − , with a very small amount of stable C 6 H 5 CO 2 showing that the radical ground state is stable and the excited states are dissociative. For p -coumarate ( p -CA − ) the dominant channel is photodetachment resulting in a stable radical and a photoelectron with electron kinetic energy (eKE) <2 eV. We also observed a minor two-body dissociative photodetachment (DPD) channel resulting in CO 2 + HOC 6 H 4 CHCH + e − , characterized by eKE <0.8 eV. Evidence was also found for a three-body ionic photodissociation channel producing HOC 6 H 5 + HCC − + CO 2 . The ion beam contained both the phenolate and carboxylate isomers of p -CA − , but DPD only occurred from the carboxylate form. For both species DPD is seen from the first and second excited states of the radical, where vibrational excitation is required for decarboxylation from the first excited radical state. 

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2. Electron-induced vibrational excitation and dissociative electron attachment in methyl formate

   https://doi.org/10.1039/c9cp05165a  

   Kumar T. P., Ragesh ; Kočišek, J. ; Bravaya, K. ; Fedor, J. ( January 2020 , Physical Chemistry Chemical Physics)

   null (Ed.)

   We probe the low-energy electron collisions with methyl formate HCOOCH 3 , focusing on its resonant states. Experimentally, we (i) use two-dimensional electron energy loss spectroscopy to gain information about the vibrational excitation and (ii) report the absolute dissociative electron attachment cross sections. The electron scattering spectra reveal both the threshold effects due to the long-range electron–molecule interaction and a pronounced π* resonance centered around 2.1 eV. This resonance gives rise to dissociative electron attachment into three different anionic channels, the strongest one being the production of the formate anion. Theoretically, we characterize this resonant state using the complex absorbing potential approach combined with multistate multireference perturbation theory, which predicts its position and width in excellent agreement with the experiment. 

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3. Laboratory Study of the Cameron Bands, the First Negative Bands, and Fourth Positive Bands in the Middle Ultraviolet 180–280 nm by Electron Impact Upon CO

   https://doi.org/10.1029/2020JE006602  

   Lee, Rena A. ; Ajello, Joseph M. ; Malone, Charles P. ; Evans, J. Scott ; Veibell, Victoir ; Holsclaw, Gregory M. ; McClintock, William E. ; Hoskins, Alan C. ; Jain, Sonal ; Gérard, Jean‐Claude ; et al ( January 2021 , Journal of Geophysical Research: Planets)

   We have analyzed medium‐resolution (full width at half maximum, FWHM = 1.2 nm), Middle UltraViolet (MUV; 180–280 nm) laboratory emission spectra of carbon monoxide (CO) excited by electron impact at 15, 20, 40, 50, and 100 eV under single‐scattering conditions at 300 K. The MUV emission spectra at 100 eV contain the Cameron Bands (CB) CO(a³Π → X¹Σ⁺), the fourth positive group (4PG) CO(A¹Π → X¹Σ⁺), and the first negative group (1NG) CO⁺(B²Σ⁺→ X²Σ) from direct excitation and cascading‐induced emission of an optically thin CO gas. We have determined vibrational intensities and emission cross sections for these systems, important for modeling UV observations of the atmospheres of Mars and Venus. We have also measured the CB “glow” profile about the electron beam of the long‐lived CO (a³Π) state and determined its average metastable lifetime of 3 ± 1 ms. Optically allowed cascading from a host of triplet states has been found to be the dominant excitation process contributing to the CB emission cross section at 15 eV, most strongly by the d³Δ and a'³Σ⁺electronic states. We normalized the CB emission cross section at 15 eV electron impact energy by multilinear regression (MLR) analysis to the blended 15 eV MUV spectrum over the spectral range of 180–280 nm, based on the 4PG emission cross section at 15 eV that we have previously measured (Ajello et al., 2019,https://doi.org/10.1029/2018ja026308). We find the CB total emission cross section at 15 eV to be 7.7 × 10⁻¹⁷ cm².

    

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4. Cross sections for vibrational excitation and dissociative recombination of the CF3+ ion in collisions with low-energy electrons

   https://doi.org/10.1088/1361-6595/ac54c0  

   Jiang, Xianwu ; Liu, Hainan ; Zhang, Ya ; Jiang, Wei ; Ayouz, Mehdi ; Kokoouline, Viatcheslav ( April 2022 , Plasma Sources Science and Technology)

   Abstract Cross sections for the vibrational excitation and dissociative recombination (DR) of the C F 3 + ion in collisions with electrons at low scattering energies are computed using a previously-developed approach combining the normal mode approximation for the vibrational states of the target ion and the UK R -matrix code for the evaluation of the scattering matrices at fixed geometries. The obtained cross section for the DR shows excellent agreement with the experimental data from the ASTRID storage ring. Thermally-averaged rate coefficients are obtained from the cross sections for temperatures 10–3000 K. 

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5. Electron Scattering Cross-Section Calculations for Atomic and Molecular Iodine

   https://doi.org/10.3390/atoms9040103  

   Ambalampitiya, Harindranath ; Hamilton, Kathryn ; Zatsarinny, Oleg ; Bartschat, Klaus ; Turner, Matt ; Dzarasova, Anna ; Tennyson, Jonathan ( December 2021 , Atoms)

   Cross sections for electron scattering from atomic and molecular iodine are calculated based on the R-matrix (close-coupling) method. Elastic and electronic excitation cross sections are presented for both I and I2. The dissociative electron attachment and vibrational excitation cross sections of the iodine molecule are obtained using the local complex potential approximation. Ionization cross sections are also computed for I2 using the BEB model. 

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