Absolute Excitation Cross Sections Research Articles

Photoemission resulting from collisions of I2 with 5–100 eV electrons

We have determined absolute apparent excitation cross sections for photoemission in the 300–1050 nm spectral region resulting from collisions of I2 with electrons of 4.8–100 eV translational energy. Experiments were done in single collision conditions and emission is observed from I2, I2 +, I and I+. All the emission features appear to turn on at the energy thresholds for formation of the respective excited state species. At higher electron beam energy the spectra are dominated by emissions from the strong I2 + A–X band, as well as the intense emission from several I 5s 25p 46s states. An attempt to determine the initial I2 + A populations generated from electron impact is discussed. These populations are determined from simulations of the I2 + A–X emission band using both experimentally and theoretically determined potential energy surfaces available in the literature. Direct, vertical formation of I2 + A from I2 X is only supported in the case of the ab initio potential energy surface.

Low energy (6-18 eV) electron scattering from condensed thymidine (dT) III: absolute electronic excitation cross sections.

Absolute cross sections (CSs) for electronic excitation by low-energy electron (LEE) scattering, from condensed thymidine (dT) in the 6-18 eV incident energy range, were measured by high-resolution electron energy loss spectroscopy (HREELS). Various electron energy loss (EEL) spectra were acquired using 1 ML of dT condensed on a multilayer film of Ar held at about 20 K under ultra-high vacuum (∼1 × 10-11 Torr). dT is one of the most complex DNA constituents to be studied by HREELS and these spectra provide the first LEE energy-loss data for electronic excitation of a nucleoside. CSs for transitions to the states 13A', 13A'', 23A', 21A', 33A', 23A'', 43A', 33A'', 53A' and 51A' of dT were extracted from the EEL spectra. These states correlate to those previously measured for the thymine moiety. Two broad resonances are observed in the energy dependence of the CSs at around 8 and 10 eV; these energies are close to those found in earlier gas- and solid-phase studies on the interaction of LEEs with dT, thymine and related molecules. A quantitative comparison between the electronic CSs of dT and those of thymine and tetrahydrofuran indicates that no variation is induced in the electronic CSs of thymine upon chemically binding to a deoxyribose group.

Towards a determination of absolute cross sections for projectile excitation of hydrogen‐like uranium in collisions with neutral atoms

Recently, the contribution of the generalized Breit interaction to electron impact ionization was identified for the first time in a high‐Z system, namely, hydrogen‐like uranium. This study employed a measurement of the relative population of the j = 1/2 and j = 3/2 states of the L shell by projectile excitation in collision of U91+ with hydrogen and nitrogen targets. However, for a rigorous test of ion–atom collision theory, also the absolute excitation cross sections are of great importance. In the present work, we report on our efforts to extend the previous study to a determination of the absolute projectile excitation cross sections by normalization to the well‐known radiative electron capture process.

Low energy (1-19 eV) electron scattering from condensed thymidine (dT) I: absolute vibrational excitation cross sections.

Absolute cross sections (CSs) for vibrational excitation by electrons of energy between 1-19 eV scattering from condensed thymidine (dT) were measured by means of high-resolution electron energy loss spectroscopy (HREELS). The CSs were extracted from electron energy loss spectra of dT condensed on multilayers film of Ar held at about 20 K under ultra-high vacuum (∼1 × 10-11 Torr). dT is one of the most complex molecules to be studied in condensed phase by HREELS. The magnitudes of the vibrational CSs lie within the 10-17 cm2 range. Structures observed in the energy dependence of the vibrational CSs under 3 eV and around 4 eV were compared with previous results of gas- and solid-phase studies on dT and related molecules (e.g., thymine and tetrahydrofuran). These structures were attributed to the formation of shape resonances.

Note: Absolute electronic excitation cross sections for 8.5-17.5 eV electron scattering from condensed dimethyl phosphate (DMP).

Note: Absolute electronic excitation cross sections for 8.5-17.5 eV electron scattering from condensed dimethyl phosphate (DMP).

Integral elastic, vibrational-excitation, electronic-state excitation, ionization, and total cross sections for electron scattering from para-benzoquinone.

We report absolute experimental integral cross sections (ICSs) for the electron impact excitation of 6 bands (Bands 0-V) of unresolved electronic-states in para-benzoquinone, for incident electron energies between 20 and 40 eV. Absolute vibrational-excitation ICSs, for 3 composite vibrational bands (Bands I-III), are also reported in that same energy range. In addition, ICSs calculated within our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section (TCS) for electron-para-benzoquinone scattering. Where possible, those calculated IAM-SCAR+I ICSs are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, we also present results from our Schwinger multichannel method with pseudopotential (SMCPP) calculations. Here elastic ICSs and ICSs corresponding to the Bands 0-III of unresolved electronic-states are presented, with agreement between the SMCPP electronic-state ICSs and those from our measurements being in good qualitative accord. The energy range of our SMCPP computations is 16-50 eV. Using the binary-encounter-Bethe (BEB) approach, total ionization cross sections for this collision system were computed. Those total ionization cross sections were then added to our SMCPP ICS results, to derive SMCPP/BEB TCSs that are typically in very good accord with those from our IAM-SCAR+I approach.

Shape and Core-Excited Resonances in Thiophene.

We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Absolute differential cross sections for electron impact excitation up to 18 eV and for two scattering angles, 90 and 135°, have been measured. Agreement between the calculated and measured experimental cross sections is very good. Three shape resonances previously described, two of π* character and one σ*, as well as a number of resonances of core-excited or mixed character are identified and characterized in the calculations. The measured cross sections provide experimental confirmation for a number of the core-excited resonances. The link between these resonances and prior DEA experiments is discussed.

Absolute vibrational excitation cross sections for 1-18 eV electron scattering from condensed dimethyl phosphate (DMP).

Absolute cross sections (CSs) for vibrational excitation by 1-18 eV electrons incident on condensed dimethyl phosphate (DMP) were measured with a high-resolution electron energy loss (EEL) spectrometer. Absolute CSs were extracted from EEL spectra of DMP condensed on multilayer film of Ar held at about 20 K under ultra-high vacuum (∼1 × 10-11 Torr). Structures observed in the energy dependence of the CSs around 2, 4, 7, and 12 eV were compared with previous results of gas- and solid-phase experiments and with theoretical studies on dimethyl phosphate and related molecules. These structures were attributed to the formation of shape resonances.

Absolute cross sections for electronic excitation of condensed tetrahydrofuran (THF) by 11-16 eV electrons.

Absolute cross section (CS) data on the interaction of low energy electrons with DNA and its molecular constituents are required as input parameters in Monte-Carlo type simulations, for several radiobiological applications. Previously [V. Lemelin et al., J. Chem. Phys. 144, 074701 (2016)], we measured absolute vibrational CSs for low-energy electron scattering from condensed tetrahydrofuran, a convenient surrogate for the deoxyribose. Here we report absolute electronic CSs for energy losses of between 6 and 11.5 eV, by electrons with energies between 11 and 16 eV. The variation of these CSs with incident electron energy shows no evidence of transient anion states, consistent with theoretical and other experimental results, indicating that initial electron capture leading to DNA strand breaks occurs primarily on DNA bases or the phosphate group.

Excitation of the lowest electronic transitions in ethanol by low-energy electrons

We report absolute differential and integral cross sections for electronic excitation of ethanol, by low-energy electron impact. Cross sections for low-lying excited states were measured at incident electron energies from 9 to 20 eV and at scattering angles from through . Our results include cross sections for excitation of the and states as well as for the + and + cross section sums. Corresponding calculations were also performed using the Schwinger multichannel method, within an 11-channel close-coupling scheme.

Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds.

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural.

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance.

The stabilization method is used to calculate the complex potential energy curve of the (2)Π state of CO(-) as a function of bond length, with the refinement that separate potentials are determined for p-wave and d-wave attachment and detachment of the excess electron. Using the resulting complex potentials, absolute vibrational excitation cross sections are calculated as a function of electron energy and scattering angle. The calculated cross sections agree well with experiment.

Absolute vibrational cross sections for 1-19 eV electron scattering from condensed tetrahydrofuran (THF).

Absolute cross sections (CSs) for vibrational excitation by 1-19 eV electrons impacting on condensed tetrahydrofuran (THF) were measured with a high-resolution electron energy loss spectrometer. Experiments were performed under ultra-high vacuum (3 × 10(-11) Torr) at a temperature of about 20 K. The magnitudes of the vibrational CSs lie within the 10(-17) cm(2) range. Features observed near 4.5, 9.5, and 12.5 eV in the incident energy dependence of the CSs were compared to the results of theoretical calculations and other experiments on gas and solid-phase THF. These three resonances are attributed to the formation of shape or core-excited shape resonances. Another maximum observed around 2.5 eV is not found in the calculations but has been observed in gas-phase studies; it is attributed to the formation of a shape resonance.

Absolute cross sections for electronic excitation of pyrimidine by electron impact.

We measured differential cross sections for electron-impact electronic excitation of pyrimidine, both as a function of electron energy up to 18 eV, and of scattering angle up to 180°. The emphasis of the present work is on recording detailed excitation functions revealing resonances in the excitation process. The differential cross sections were summed to obtain integral cross sections. These are compared to results of R-matrix calculations, which successfully reproduce both the magnitude of the cross section and the major resonant features. Comparison of the experiment to the calculated contributions of different symmetries to the integral cross section permitted assignment of several features to specific core-excited resonances. Comparison of the resonant structure of pyrimidine with that of benzene revealed pronounced similarities and thus a dominant role of π-π(∗) excited states and resonances. Electron energy loss spectra were measured as a preparation for the cross section measurements and vibrational structure was observed for some of the triplet states. A detailed analysis of the electronic excited states of pyrimidine is also presented.

Inelastic processes inNa+-Ne,Na+-Ar,Ne+-Na, andAr+-Na collisions in the energy range 0.5–14 keV

Absolute cross sections for charge-exchange, ionization and excitation in Na$% ^{+}-$Ne and Na$^{+}-$Ar collisions were measured in the ion energy range $% 0.5-10$ keV using a refined version of a capacitor method, and collision and optical spectroscopy methods simultaneously in the same experimental set-up. Ionization cross sections for Ne$^{+}-$Na and Ar$^{+}-$Na collisions are measured at the energies of $2-14$ keV using a crossed-beam spectroscopy method. The experimental data and the schematic correlation diagrams are used to analyze and determine the mechanisms for these processes. For the charge-exchange process in Na$^{+}$ $-$Ar collisions two nonadiabatic regions are revealed and mechanisms responsible for these regions are explained. Structural peculiarity on the excitation function for the resonance lines of argon atoms in Na$^{+}$ $-$Ar collisions are observed and the possible mechanisms of this phenomenon are explored. The measured ionization cross sections for Na$^{+}-$Ne and Ne$^{+}-$Na collisions in conjunction with the Landau-Zener formula are used to determine the coupling matrix element and transition probability in a region of pseudo-crossing of the potential curves.

Dissociative recombination and excitation of D5+ by collisions with low-energy electrons

We report results from high-resolution studies of D5+ cluster ion collisions with low-energy electrons performed in a heavy ion storage ring. Absolute dissociative recombination (DR) and dissociative excitation (DE) cross sections were determined for the energy range from 0.0005 to 20 eV. The DR cross sections were exceedingly large at low energies, and DR resulted in efficient internal energy redistribution and pronounced fragmentation with two main product channels: D2+3D (0.62 ± 0.03) and 2D2+D (0.35 ± 0.01). The DR and DE cross sections were comparable in the energy range from 0.2 to 20 eV, which suggest that the two processes follow similar dynamics and are competing outcomes of the ion–electron interaction. A simple picture of the recombination process of D5+ which captures the essential physics is suggested.

Absolute cross sections for electronic excitation of furan by electron impact

The differential cross sections for exciting the three lowest electronically excited states are measured in furan both as a function of the electron energy and of the scattering angle, revealing the resonant structure and permitting conclusions about the excitation mechanism.

Absolute Cross Sections for Near-Threshold Electron-Impact Excitation of the 2s 2S → 2p 2P Transition of Li-Like C3+, N4+, and O5+ Ions

Excitation cross sections of 1s22s 2S1/2 → 1s22p 2P1/2,3/2 transition among the fine-structure levels in Li-like C3+, N4+, and O5+ ions are calculated for energies of the near-threshold by using the relativistic distorted-wave program REIE06. The target state wavefunctions are calculated by using the Grasp92 code. The continuum orbitals are studied in the distorted-wave approximation, in which the direct and exchange potentials among all the electrons are included. The results of the Li-like C3+ ion settle the discrepancy between several previous experiments by using the crossed-beams fluorescence method, in good agreement with the measurements of Savin et al. Moreover, the results in Li-like N4+, and O5+ ions are compared with the previous experiments, and a good agreement is obtained.

Resonance excitation of autoionizing states in alkali atoms by electron impact

In the work, the main results on excitation and decay processes of autoionizing states in alkali atoms are considered. As follows from the data on excitation dynamics of subvalence shells in an impact energy region from the lowest excitation threshold up to 600 eV, at threshold energies their electron excitation results exclusively from the formation of negative-ion resonances. At mean impact energies, the cascade population processes due to resonance excitation and subsequent radiative decay of the upper states play an essential role for the low-lying autoionizing states. By comparing with theoretical data, the absolute excitation cross sections for autoionizing states and negative-ion resonances were determined. The absolute autoionization cross sections as well as the autoionization contribution to the total single ionization cross section were also determined. Keywords: atom, ion, autoionization, resonances, ionization, effective cross section.