Absolute cross sections for electron scattering from furan

We report results of measurements and calculations of absolute cross sections for electron scattering from furan molecules (C(4)H(4)O). The experimental absolute differential cross sections (DCSs) for elastic electron scattering were obtained for the incident energies from 50 eV to 300 eV and for scattering angles from 20[ordinal indicator, masculine] to 110[ordinal indicator, masculine], by using a crossed electron-target beam setup and the relative flow technique for calibration to the absolute scale. The calculations of the electron interaction cross sections are based on a corrected form of the independent-atom method, known as the screening corrected additivity rule (SCAR) procedure and using an improved quasifree absorption model. The latter calculations also account for rotational excitations in the approximation of a free electric dipole and were used to obtain elastic DCSs as well as total and integral elastic cross sections which are tabulated in the energy range from 10 to 10 000 eV. All SCAR calculated cross sections agree very well with both the present and previously published experimental results. Additionally, calculations based on the first Born approximation were performed to calculate both elastic and vibrationally inelastic DCSs for all the modes of furane, in the energy range from 50 eV to 300 eV. The ratios of the summed vibrational to elastic DCSs are presented and discussed. Finally, the present results for furan are compared with previously published elastic DCSs for the tetrahydrofuran molecule and discussed.     

Differential elastic electron scattering cross sections for CCl4 by 1.5-100 eV energy electron impact

We report absolute elastic differential, integral and momentum transfer cross sections for electron interactions with CCl(4). The incident electron energy range is 1.5-100 eV, and the scattered electron angular range for the differential measurements varies from 15°-130°. The absolute scale of the differential cross section was set using the relative flow technique with helium as the reference species. Comparison with previous total cross sections shows good agreement. Atomic-like behaviour in this scattering system is shown here for the first time, and is further investigated by comparing the CCl(4) elastic cross sections to recent results on the halomethanes and atomic chlorine at higher impact energies [H. Kato, T. Asahina, H. Masui, M. Hoshino, H. Tanaka, H. Cho, O. Ingólfsson, F. Blanco, G. Garcia, S. J. Buckman, and M. J. Brunger, J. Chem. Phys. 132, 074309 (2010)].     

Regge pole analysis of differential cross sections for elastic molecular scattering

The angle and energy dependence of differential cross sections σ(E, θ) that exhibit diffraction oscillations is analyzed by a Regge representation. It is shown that: (1) the Regge poles can be estimated directly from the measured σ(E, θ); (2) a fixed-energy Regge pole calculation can reproduce the E-dependence of σ(E, θ).     

Differential cross sections for elastic scattering and electron detachment in collisions of halogen anions with noble gas atoms

Electron detachment in collision of halogen anions and noble gas atoms was investigated in the collision energy range of 500-3000 eV. Differential cross sections were determined both for elastic scattering and for the electron detachment process in the angular range of 0-3°. It was found that direct electron detachment, due to the interaction of the discrete ion-atom state with a continuum of states increases with increasing collisional energy. Furthermore, the experimental evidence indicates that direct detachment primarily occurs in a limited range of impact parameters. A model, based on angular coupling, is described which qualitatively explains these two experimentally observed features.     

Total cross section of the SF6 molecule for elastic electron scattering

A multiple scattering method is used for determining the total cross section of elastic electron scattering for the SF₆ molecule in the energy range 10–60 eV.     

Measurements of total cross sections for electron scattering from helium and argon

A time-of-flight (TOF) electron spectrometer has been used to measure absolute total cross sections (TCS) scattered from helium and argon over the energy range from 1 to 50 eV. The TOF spectrometer and experimental procedure are described briefly, and experimental results are presented together with associated errors. The results are found to be in good agreement with other experimental and theoretical data.     

Elastic electron scattering cross sections of oriented and aligned molecules

Elastic differential electron scattering cross sections of oriented methyl iodide are calculated using the independent atom model. Results are presented for two specific orientations of the ICH₃ molecule for the purpose of comparison with the fictitious molecule IC, similarly oriented, at electron energies of 600 eV and 40 keV. Cross sections are also calculated for IC with a large angular momentum. In a comparison of the results for different orientations of the angular momentum vector, including random orientation, large differences between the cross sections are evident. This sensitivity to the plane of rotation of the molecule suggests the possibility of determining the degree of alignment of the angular momenta of a beam of such molecules by electron diffraction.     

Correlation effects in R-matrix calculations of electron-F2 elastic scattering cross sections

Correlation effects are studied in electron scattering off the fluorine molecule. Fixed-nuclei approximation R-matrix calculations of the elastic collision cross sections are presented for a set of internuclear distances at three levels of correlation. The aim of this work is to study the role of electronic correlation on the properties of the 2Sigmau resonance. The Feshbach-Fano R-matrix method of resonance-background separation is used to study the effect of inclusion of various levels of correlation on the energy and width of the 2Sigmau resonance. Data required for construction of the nonlocal resonance model (construction of a discrete state and its coupling to the continuum) which allows the calculation of inelastic processes such as dissociative electron attachment and vibrational excitation [W. Domcke, Phys. Rep. 208, 97 (1991)] including the correlation are presented.     

Total (elastic + inelastic) cross sections for electron scattering with bound and free germanium and lead atoms

Spherical complex optical potential (SCOP) approach has been used to compute the differential, total (elastic + inelastic) and momentum transfer cross sections for electrons scattering from the bound and free germanium and lead atoms in the energy range from 100–5000 eV. We find that the present calculated differential scattering cross sections (DCS) exhibit all important features (such as forward peaking, dip at middle angles and enhanced backward scattering) observed in other theoretical calculations and experimental measurements. The effect of absorption potential is generally to reduce the elastic cross section.     

Evaluation of cross sections for X-ray and high-energy electron scattering from molecular systems

An analytical and computationally efficient formalism for the evaluation of rotationally averaged cross sections for X-ray and high-energy electron scattering from molecular systems is given. Its application for both SCF and CI wave functions is discussed. © 1994 John Wiley & Sons, Inc.     

Application of fixed-nuclei scattering theory to electron methane elastic and inelastic differential cross sections at 10 eV impact energy

Quantum mechanical calculations are reported for electron-methane elastic scattering and rotational excitation cross sections at 10 eV impact energy. The calculations employ a fixed-nuclei close coupling formalism with full incorporation of symmetry and are used to test previous laboratory-frame calculations employing a direct coupling approximation. Good agreement is obtained. Additional comparisons to previous theoretical and experimental work are also presented, and the contributions of the various symmetries to the cross sections are analyzed in terms of representatve matrix elements of the interaction potential.     

Total scattering cross sections for ethylene by electron impact for incident electron energies from 1 to 2000 eV

We report total scattering cross sections for C₂H₄ molecule by electron impact. Calculations are performed by using two different quantum mechanical methods and they cover the energy range from 1 to 2000 eV. For low energy calculations up to 15 eV, UK molecular R‐matrix code through QUANTEMOL‐N software is used, while intermediate to high energy (15–2000 eV) calculations were carried out by applying spherical complex optical potential formalism. Comparison is made with earlier measurements and theoretical data wherever available. A shape resonance is detected around 2 eV due to the ²B_2g symmetry of an electronic state that corresponds to the temporary negative ion formation of ethylene. The differential cross sections are also calculated for the energy range from 1 to15 eV for the scattering angles between 0º and 180º. © 2013 Wiley Periodicals, Inc.     

Experimental and theoretical elastic cross sections for electron collisions with the C3H6 isomers

In the present work we report cross sections for electron collisions with the isomers propene (C3H6) and cyclopropane (c-C3H6). Electron-scattering differential cross sections (DCS) are reported for measurements carried out for energies 1.5-100 eV and the angular range of 20 degrees-120 degrees. Elastic integral cross sections (ECS), DCS, and momentum-transfer cross sections (MTCS) are reported for calculations carried out using the Schwinger multichannel method with pseudopotentials for the energy range of 2.0-40 eV and angular range of 0 degrees-180 degrees. The resemblance of the pi* shape resonance in the cross sections, observed at 1.5-2.0 eV for propene, to those in C2H4 and C2F4 clearly points to the effect of the double bond in the molecular structures for these molecules. Below 60 eV, we observed clear differences in peak positions and magnitudes between the DCS, ECS, and MTCS for C3H6 and c-C3H6, which we view as the isomer effect.     

Near-threshold electron attachment as Regge resonances: cross sections for K, Rb, and Cs atoms

We investigate the near-threshold formation of negative ions as Regge resonances in electron-atom scattering, with specific results obtained for e--K, e--Rb, and e--Cs. The complex angular momentum method, implemented within the Mulholland formulation of the total elastic cross sections, is employed. We demonstrate that for e--K, e--Rb, and e--Cs scattering, the near-threshold electron attachment cross sections are characterized by the Wigner threshold behavior, Ramsauer-Townsend minima, and Regge resonances, all discernible only through Regge partial cross section scrutiny. Regge partial, differential, and total elastic cross sections are presented and contrasted, as well as the differential cross section critical minima.     

The determination of absolute anion formation cross sections from electron beam scattering data

Using recent low energy electron scattering data for CCl4 and SF6, and accompanying theory illustrating the coupling of attachment and elastic scattering, absolute cross sections are derived for electron attachment to CCl4 and SF6 between impact energies, respectively, of 8-52 meV and 7-42 meV. Values of attachment cross sections are compared with those obtained by laser and threshold photoionization techniques, which include normalization to rate coefficient data. Excellent agreement with the latest CCl4 data is obtained, with less precise agreement for SF6, but still lying within experimental uncertainties.     

To the theory of electron scattering by polyatomic molecules

Within the Born-Oppenheimer adiabatic perturbation theory, an equation was obtained for the intensity of fast electron scattering by polyatomic molecules. All of its parameters are explicitly defined by vibronic interaction in a molecule; due to this, quantum chemical calculations are fully applicable to electron diffraction studies of molecular geometries. Engels Anti-Aircraft Missile Higher Military School. Translated fromZhurmal Strukturnoi Khimii, Vol. 35, No. 2, pp. 40–45, March–April, 1994. Translated by L. Smolina