Low energy electron impact on chlorofluoromethanes and CF4: Resonances, dissociative attachment and excitation

Verhaart, G.J.; Hart, W.J. van der; Brongersma, H.H.

doi:10.1016/0301-0104(78)80032-9

Cited by 71 publications

(29 citation statements)

References 29 publications

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“…Although CH 3 Cl has been studied previously, by means of both optical spectroscopy 6-10 and trapped-electron spectroscopy, 11,12 uncertainties exist in the assignments of some of the Rydberg states, evidence for the triplet σ(C-Cl) f σ*-(C-Cl) valence state is lacking, and only indirect evidence exists for the singlet σ(C-Cl) f σ*(C-Cl) state. 2 In addition, surprisingly little theoretical work has been done on the excited states of methyl chloride.…”

Section: Introductionmentioning

confidence: 98%

Low-Lying Electronically Excited States of CH₃Cl: Comparison of Theory and Experiment

1996

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Electron energy loss spectroscopy is used to determine the energies of the low-lying singlet and triplet states of methyl chloride. The experimental results are interpreted with the aid of ab initio calculations. The triplet n f σ*(C-Cl) state is found to lie about 0.4 eV below the singlet n f σ*(C-Cl) state. Both the electron energy loss measurements and the calculations indicate that it is possible to distinguish singlet and triplet states derived from the n f 4s and n f 4p excitations.

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Section: Introductionmentioning

confidence: 98%

Low-Lying Electronically Excited States of CH₃Cl: Comparison of Theory and Experiment

1996

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“…Although there have been earlier studies of those systems, using the electron-energy-loss technique to experimentally identify their electronic states, [15][16][17] to the best of our knowledge no complete study based on electron-scattering elastic differential cross sections (DCSs) has been carried out to date, i.e., an arguably more suitable object for a detailed and accurate study in the wide energy range from a few eV to 100 eV. Elastic and vibrational excitation cross sections for CF 2 Cl 2 and CF 3 Cl have been reported only by Mann and Linder,18,19 using the crossed electron-molecular beam geometry in the energy range from 1 to 10 eV and for scattering angles between 10 • and 100 • .…”

Section: Introductionmentioning

confidence: 99%

Cross sections for elastic scattering of electrons by CF3Cl, CF2Cl2, and CFCl3

Hoshino

Horie

Kato

et al. 2013

The Journal of Chemical Physics

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Differential, integral, and momentum transfer cross sections have been determined for the elastic scattering of electrons from the molecules CF3Cl, CF2Cl2, and CFCl3.With the help of a crossed electron beam–molecular beam apparatus using the relative flow technique, the ratios of the elastic differential cross sections (DCSs) of CF3Cl, CF2Cl2, and CFCl3 to those of He were measured in the energy region from 1.5 to 100 eV and at scattering angles in the range 15° to 130°. From those ratios, the absolute DCSs were determined by utilizing the known DCS of He. For CF3Cl and CF2Cl2, at the common energies of measurement, we find generally good agreement with the results from the independent experiments of Mann and Linder [J. Phys. B 25, 1621 (1992)10.1088/0953-4075/25/7/030; Mann and Linder J. Phys. B 25, 1633 (1992)10.1088/0953-4075/25/7/031]. In addition, as a result of progressively substituting a Cl-atom, undulations in the angular distributions have been found to vary in a largely systematic manner in going from CF4 to CF3Cl to CF2Cl2 to CFCl3 and to CCl4. These observed features suggest that the elastic scattering process is, in an independently additive manner, dominated by the atomic-Cl atoms of the molecules. The present independent atom method calculation typically supports the experimental evidence, within the screened additivity rule formulation, for each species and for energies greater than about 10–20 eV. Integral elastic and momentum transfer cross sections were also derived from the measured DCSs, and are compared to the other available theoretical and experimental results. The elastic integral cross sections are also evaluated as a part of their contribution to the total cross section.

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“…An expanded spectrum of this region is shown in Figure 5. This process has been observed previously for CF, [21]. The spacing between the vibrational features alternates between two values of approximately 0.08 eV and 0.10 eV.…”

Section: Resultsmentioning

confidence: 55%

Studies of unoccupied orbitals of BF₃ and BCL₃ by electron transmission spectroscopy and multiple scattering Xα calculations

Tossell

Moore

Olthoff

1986

Int J of Quantum Chemistry

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Electron transmission spectroscopy (ETS) and bound-state and continuum multiple-scattering X a (MS-Xa) calculations are employed to characterize the unoccupied a;, a; and e' orbitals of BF, and BCI,. The a; orbital of BF,, which produces a peak about 7 eV below threshold in the x-ray absorption spectrum (XAS), generates a scattering resonance at 3.5 eV in ETS. Similarly, the e' orbital that lies about 2 eV above threshold in XAS occurs about 13-16 eV above threshold in ETS. Dissociation of F-from BF, due to electron attachment is attributed to a core-excited shape resonance involving an e" 4 a; excitation and electron capture into the a; orbital. In BCI, all the unoccupied orbitals lie at lower energy than in BF, and are closely spaced, making definitive spectral assignments difficult. Both Hartree-Fock (HF) and M S -X~ methods apparently underestimate the stability of the unoccupied e' orbital of BCI,. Vibronic coupling due to out-of-plane bending may significantly affect the spectral intensities. Feshbach resonances are observed for BCI, at energies close. to those observed in the vacuum-uv absorption spectrum. The lower energies of the unoccupied orbitals of BCI, are consistent with their stronger bonding to nucleophiles.

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Low energy electron impact on chlorofluoromethanes and CF4: Resonances, dissociative attachment and excitation

Cited by 71 publications

References 29 publications

Low-Lying Electronically Excited States of CH₃Cl: Comparison of Theory and Experiment

Low-Lying Electronically Excited States of CH₃Cl: Comparison of Theory and Experiment

Cross sections for elastic scattering of electrons by CF3Cl, CF2Cl2, and CFCl3

Studies of unoccupied orbitals of BF₃ and BCL₃ by electron transmission spectroscopy and multiple scattering Xα calculations

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Low energy electron impact on chlorofluoromethanes and CF4: Resonances, dissociative attachment and excitation

Cited by 71 publications

References 29 publications

Low-Lying Electronically Excited States of CH3Cl: Comparison of Theory and Experiment

Low-Lying Electronically Excited States of CH3Cl: Comparison of Theory and Experiment

Cross sections for elastic scattering of electrons by CF3Cl, CF2Cl2, and CFCl3

Studies of unoccupied orbitals of BF3 and BCL3 by electron transmission spectroscopy and multiple scattering Xα calculations

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Low-Lying Electronically Excited States of CH₃Cl: Comparison of Theory and Experiment

Low-Lying Electronically Excited States of CH₃Cl: Comparison of Theory and Experiment

Studies of unoccupied orbitals of BF₃ and BCL₃ by electron transmission spectroscopy and multiple scattering Xα calculations