Scattering of N(2)O on electron impact over an extensive energy range (0.1 eV-2000 eV)

We report electron impact total cross sections, Q(T), for e-N(2)O scattering over an extensive range of impact energies approximately from 0.1 eV to 2000 eV. We employ an ab initio calculation using R-matrix formalism below the ionization threshold of the target and above it we use the well established spherical complex optical potential to compute the cross sections. Total cross section is obtained as a sum of total elastic and total electronic excitation cross sections below the ionization threshold and above the ionization threshold as a sum of total elastic and total inelastic cross sections. Ample cross section data for e-N(2)O scattering are available at low impact energies and hence meaningful comparisons are made. Good agreement is observed with the available theoretical as well as experimental results over the entire energy range studied here.     

The interaction of slow positrons with organic moecules above and below positronium formation thresholds

A review is given of the ionization of organic moecules by monoenergetic positrons having energies in the range of 0.5–15 eV. Two mechanisms, unique to positrons, are described. If the kinetic energy of the positron is above the positronium formation threshold, such that electrons can be removed from the molecules to form free positronium atoms, the ionization/fragmentation behavior can be explained qualitatively by a modification of the Ore gap theory. To explain how positrons can ionize and fragment molecules when their kinetic energies are below the positronium formation threshold, it is necessary to assume that energy is transferred to the molecule by the annihilation process. Ionization cross sections for positrons having kinetic energies below the positronium formation threshold are sensitive to molecular size, structure and bond types. Continuing work involves a search for positronium compound formation and measurements of the kinetic energy distributions of ions.     

Polarisation potentials for positron-molecule scattering processes

A new form of a local, model polarisation-correlation potential obtained via Density Functional Theory (DFT) is proposed for the treatment of positron scattering from H₂ and N₂ molecules at energies below the threshold of positronium formation. The derivation of the potential is briefly discussed and its relative importance for the elastic channels of the scattering process is analysed in detail. Final elastic cross sections, rotationally summed, are compared with experiments and with existing theoretical results. They are found to agree reasonably well with measurements and suggest the present model as a useful, and simple, method for treating short-range correlation forces in positron scattering calculations for molecular systems.     

Calculation of Ionization,Excitation and Electron Capture Cross Sections for Be4++H(2s, 2p) Collisions

A computational study of Be⁴⁺+H(2s, 2p) collisions has been carried out employing the Classical Trajectory Monte Carlo (CTMC) method for the impact energy range from 20 keV/u to 1000 keV/u. The integral n partial cross sections for H(n) excitation and Be³⁺(n) electron capture and, the total ionization and electron capture cross sections are calculated and compared to recent semiclassical results. A general good agreement is observed for the n partial and total electron capture and ionization cross sections. The comparative study of the three inelastic processes show no significant differences between both excited targets.     

Total cross sections of electron collisions with S atoms; H2S,OCS and SO2 molecules (Ei ≥ 50 eV)

Collisions of intermediate to high energy electrons are considered with S-atoms as well as H₂S, OCS and SO₂ molecules as targets. We employ e^- atom total cross sections calculated in the complex optical potential, to calculate e^--molecule total cross sections in a simple and a modified Additivity Rule. Our total (elastic + inelastic) cross sections above 50 eV, fare reasonably well as compared to various experimental and theoretical data. The calculated inelastic cross sections serve as the upper limit of total ionization cross sections. Results are presented graphically from about 10 to 5000 eV.     

Electron impact and single photon ionization cross sections of neutral silver clusters

Neutral silver atoms and small clusters Ag _n (n=1...4) were generated by sputtering, i.e. by bombarding a polycrystalline silver surface with Ar⁺ ions of 5 keV. The sputtered particles were ionized by a crossed electron beam and subsequently detected by a quadrupole mass spectrometer. In alternative to the electron impact ionization, the same neutral species were also ionized by single photon absorption from a pulsed VUV laser (photon energy 7.9 eV), and the photoionization cross sections were evaluated from the laser intensity dependence of the measured signals. By in situ combining both ionization mechanisms, absolute values of the ratio σ _e (Ag _n )/σ _e (Ag) between the electron impact ionization cross sections of silver clusters and atoms could be determined for a fixed electron energy of 46 eV. These values can then be used to calibrate previously measured relative ionization functions. By calibrating the results using literature data measured for silver atoms, we present absolute cross sections for electron impact ionization of neutral Ag₂, Ag₃ and Ag₄ as a function of the electron energy between threshold and 125 eV.     

Total ionization and electron attachment cross sections of CCl2F2 by electron impact

The absolute total ionization cross sections from threshold to 250 eV and dissociative attachment cross sections from zero to 10 eV have been measured for the CCl₂F₂ (dichloro-difluoro-methane) molecule by using a parallel plate condenser type ionization chamber. The maximum of the ionization cross-section curve was found to be at an energy of about 90 eV with a cross section of 1.44 × 10^?19 m². The attachment cross-section curve shows three peaks, the most intense being at zero electron energy with a cross-section value of 1.80 × 10^?20 m², and the other two at energies of 0.6 eV and 3.5 eV, respectively. The maximal relative error in cross-section values is 0.08, for electron energies larger than 0.4 eV.     

Electron scattering on C6F6 and SF6 molecules

Total absolute cross sections for electron scattering on hexafluorobenzene, C₆F₆, and sulfur hexafluoride, SF₆, molecules, have been measured as a function of impact energy from 0.6 to 250 eV. The total cross section for C₆F₆ exhibits a very broad peak stretching from 10 to 100 eV with some weak features near 9.5 and 15 eV superimposed on the peak. Apart from the well-known low-energy resonant structures in the SF6 total cross section function, a new weak resonant feature close to 25 eV has been noticed in the present experiment, in accordance with earlier theoretical calculations.     

Total cross sections for electron scattering by polyatomic molecules at 10–1000 eV: C2H2, C2H4, C2H6, C3H6, C3H8 and C4H8

A model complex optical potential (composed of static, exchange, polarization and absorption terms) is employed to calculate the total (elastic and inelastic) electron-atom scattering cross sections from the corresponding atomic wave function at the Hartree-Fock level. The total cross sections (TCS) for electron scattering by their corresponding molecules (C₂H₂, C₂H₄, C₂H₆, C₃H₆, C₃H₈ and C₄H₈) are firstly obtained by the use of the additivity rule over an incident energy range of 10–1000 eV. The qualitative molecular results are compared with experimental data and other calculations wherever available, good agreement is obtained in intermediate-and high-energy region.     

Electron and positron scattering from 1,1-C2H2F2

1,1-difluoroethylene (1,1-C2H2F2) molecules have been studied for the first time experimentally and theoretically by electron and positron impact. 0.4-1000 eV electron and 0.2-1000 eV positron impact total cross sections (TCSs) were measured using a retarding potential time-of-flight apparatus. In order to probe the resonances observed in the electron TCSs, a crossed-beam method was used to investigate vibrational excitation cross sections over the energy range of 1.3-49 eV and scattering angles 90 degrees and 120 degrees for the two loss energies 0.115 and 0.381 eV corresponding to the dominant C-H (nu2 and nu9) stretching and the combined C-F (nu3) stretching and CH2 (nu11) rocking vibrations, respectively. Electron impact elastic integral cross sections are also reported for calculations carried out using the Schwinger multichannel method with pseudopotentials for the energy range from 0.5 to 50 eV in the static-exchange approximation and from 0.5 to 20 eV in the static-exchange plus polarization approximation. Resonance peaks observed centered at about 2.3, 6.5, and 16 eV in the TCSs have been shown to be mainly due to the vibrational and elastic channels, and assigned to the B2, B1, and A1 symmetries, respectively. The pi* resonance peak at 1.8 eV in C2H4 is observed shifted to 2.3 eV in 1,1-C2H2F2 and to 2.5 eV in C2F4; a phenomenon attributed to the decreasing C=C bond length from C2H4 to C2F4. For positron impact a conspicuous peak is observed below the positronium formation threshold at about 1 eV, and other less pronounced ones centered at about 5 and 20 eV.     

Positronium hydride formation in collisions of positrons with molecular hydrogen

Summary The feasibility of observing the threshold for the formation of positronium hydride, PsH, in collisions of low-energy positrons with hydrogen molecules in a mass spectrometric application is considered. The expected count rate of the signature ion H⁺ using existing positron beams depends upon the cross section for a dissociative attachment reaction. The estimation of this cross section relies on knowledge of certain potential energy curves and leptonic wave functions. This knowledge does not yet exist. The curves are roughly estimated by considering the binding of a positron to the ionicB state of H₂. Methods of calculating the wave functions are briefly considered.A preliminary version was presented at the Third International Workshop on Positron and Positronium Chemistry, Milwaukee, July 1990 (Ref. [1])     

Electron-impact ionization of the metastable Mg(...2p63s3p3P0,2) atoms

Electron-impact ionization of Mg atoms from metastable states was investigated. The method and tech-nique of crossed atomic and electron beam studies are described. The value of the total ionization cross section from the 3s3p ³P_j metastable states for 4... 21 eV incident electron energy was determined. It was found that ionization cross sections from the metastable and ground states differ considerably. This is mainly due to the different mechanisms of ion formation from the metastable and ground states. The results obtained are compared with those calculated in the classical mechanics binary approximation.     

Ion pair formation in alkali-SF6 collisions: Dependence on collisional and vibrational energy

The dependence of ion pair formation in collisions of fast alkali atoms (K, Na and Li) with SF₆ on the initial relative kinetic energy and the internal energy of the target molecule has been studied by the crossed molecular beam method. Using a mass spectrometer we have measured total cross sections for negative ion formation as a function of translational and internal energy. Collision energies ranged from threshold up to 35 eV and SF₆ source temperatures were varied from 300 K to 850 K.By means of an inverse Laplace transform of the measured cross sections, we have determined total specific cross sections for each negative ion depending on the SF₆ vibrational energy and at fixed relative kinetic energy.The relative importance of both collisional and internal energy in promoting the electron transfer process is discussed for the various reaction channels in terms of a collision model. An essential feature of this model is the stretching of the S-F molecular ion bond during the collision. The product show complete relaxation in the threshold region, i.e., vibrational and collisional energy are equivalent: This holds for the SF⁻₆ formation only near threshold and for the SF⁻₅ and F⁻ formation up to about 2 eV above threshold. In the post-threshold region the effect of the internal energy on the cross section dominates over that of the translational energy.From these measurements the adiabatic electron affinity of SF₆ is inferred to be 0.32 ± 0.15 eV, T = 0 K. Some other thermodynamic data are deduced: EA(SF₅) > 2.9 ± 0.1 eV (T = 300 K) and D₀(SF⁻₅-F) = 1.0 ± 0.1 eV.     

Correlation of the total cross section for electron scattering by molecules with 10–22 electrons, and some molecular parameters at intermediate energies

Accurate experimental values of the total cross section (σ_T) for electron scattering by molecules (CH₄, NH₃, N₂, CO and CO₂) in the energy range 0.5 to 5 keV have been analysed to obtain correlations with molecular properties. A formula for σ_T, as a function of the number of target electrons and molecular polarizabilities, has been deduced. This empirical expression reproduces to within 6% our experimental results for the abovementioned molecules and has been used to obtain results for other molecular targets with 10 to 22 electrons. Total cross sections show reasonable agreement with the experimental and theoretical data for this energy range.     

Electron correlation and charge density study of N2 and O2 by high energy electron scattering

The differential elastic scattering cross sections of N₂ and O₂ for 29 keV electrons have been measured. The experiment was performed using a Möllenstedt type energy analyzer to isolate the elastically scattered electrons. The difference between the measured results and calculations from molecular Hartree-Fock wave functions reveals the electron correlation in the molecules. Using the previously measured total scattering data, the inelastic scattering cross sections are derived. Several potential energies of the target are evaluated from the cross sections. Results at small angles are analyzed in terms of molecular moments and diamagnetic susceptibilities. The scattering behavior at small angles of the N₂ measurement agrees well with several ab initio calculations.     

Measurements of rotational relaxation cross sections for H2CO

Cross sections for the 1₁₁, 1₁₀, 2₁₂, and 2₁₁ rotational states and for total beam attenuation of H₂CO were measured using a beam maser spectrometer. Significant inelastic scattering in the forward direction was obtained for He and CF₃H. Significant inelastic contributions were not observed using H₂ as a scattering gas. Observed cross sections for the 1₁₁ state are larger than those for the 1₁₀ state. The relations of the present cross sections to various models for obtaining a low excitation temperature for the 1₁₁-1₁₀ doublet of formaldehyde in interstellar space is discussed.     

Cross sections for rotational excitations of CH4, SiH4, GeH4, SnH4 and PbH4 by electron impact

We report differential and integral cross sections for rotational excitation of XH₄ molecules (X: C, Si, Ge, Sn, Pb) from 7.5–30 eV by electron impact. These cross sections were derived from fixed-nuclei scattering amplitudes (Bettega et al. 1995) obtained using the Schwinger Multichannel Method with Pseudopotentials (SMCPP) (Bettega et al. 1993). Our results represent the first rotational excitation cross sections for molecules as large as GeH₄, SnH₄ and PbH₄ using entirely ab initio procedures. The cross sections for CH₄ and SiH₄ obtained with pseudopotentials are in very good agreement with all-electron calculations and with other theoretical results. A comparison between our calculated cross sections and experimental data for CH₄ is in general encouraging, but some discrepancies remain. We found inelastic rotational cross sections and momentum transfer cross sections to be larger for SiH₄, GeH₄, SnH₄ and PbH₄ than for CH₄. We could explain this feature.     

Proposed standard inelastic differential electron scattering cross sections; Excitation of the 21 P level in He

Differential and integral cross section data for electron-impact excitation of the 2¹ P level in He have been critically reviewed. Experimental and theoretical results have been compared and a set of differential cross sections at 20° scattering angle in the 25 to 500 eV impact energy range has been deduced based on all available information. It is proposed that this set of data represents the most accurate inelastic differential cross sections available at the present time and could be used as a secondary standard for normalization of cross sections.     

Potential energy curves for the interaction of a low-energy positron with matter: The case He+e+

In this introductory exploration of the title theme, we treat a positron as a light nucleus and work within the quasi-molecule approximation to obtain, for the first time, adiabatic potential energy curves for its scattering by the He atom. We then show that different elastic and inelastic processes that contribute to the total scattering cross section can be rationalized in molecular terms as dissociation and non-adiabatic couplings. Particularly, some new insights on positronium yielding are presented.