Geometric shielding corrections for calculation of electron scattering by CO2, C2H2, CHCl3, CH2Cl2, CH3Cl, CHF3, CH2F2 and CH3F at 30–5000eV

Shi, Deheng; Liu, Yufang; Sun, Jinfeng; Ma, Heng; Zhu, Zunlue

doi:10.1016/j.radphyschem.2008.01.009

Cited by 6 publications

(5 citation statements)

References 49 publications

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“…In general, there is good agreement according to the shape of the experimental TCSs obtained by (black) asterisks, [17]; open (gray) triangles, [19]. Theoretical: thick-solid (red) line, ECS + ICS, present; thin-solid (olive) line, [22]; dashed (yellow) line, [23]; dotted (green) line, [24]; short-dash (blue) line, [25]; dash-dot (cyan) line, [27]; dash-dot-dot (magenta) line, [28]. different experimental groups.…”

Section: B Acetylene H-c≡c-hsupporting

confidence: 56%

“…Numerical values of our ECS and ICS are listed in Table IV. The TCS results of the previous theoretical investigations for electron-acetylene scattering reported in the literature [22][23][24][25]27,28] are also shown in Fig. 3.…”

Section: B Acetylene H-c≡c-hmentioning

confidence: 65%

“…Generally, the earlier computations reproduce the experimental findings mainly qualitatively. Only the calculations of Joshipura and Vinodkumar [24] and Shi et al [27] do not differ from experiments by more than 16% and 12%, respectively. Figure 3 shows that our calculated ECS + ICS values are in very close agreement with the experimental TCS data ranging from about 80 eV up to 3 keV; differences do not exceed 6%.…”

Section: B Acetylene H-c≡c-hmentioning

confidence: 69%

“…It is worth noting that between 50 and 200 eV, the only available experimental TCS values were those normalized ones [21]. Theoretical TCS results from various research groups [22][23][24][25]27,28] differ from each other with regard to the magnitude even by a factor of 2, in the energy range from 50 to 1000 eV. These differences motivated the present calculations for acetylene.…”

Section: Introductionmentioning

confidence: 70%

“…To our knowledge, no absolute total cross sections (TCSs), either measured or calculated, have been reported yet for electron scattering by 1-butyne molecules. * czsz@mif.pg.gda.pl For acetylene, contrary to more complex hydrocarbon molecules, there is quite a large number of the electronscattering TCS results, both experimental [15][16][17][18][19][20][21] and theoretical [22][23][24][25][26][27][28]. Early absolute TCS measurements, carried out more than 80 years ago [15,16], cover energies below 50 eV, while recent absolute TCS data concern rather high electron-impact energies [17][18][19], above 200 eV.…”

Section: Introductionmentioning

confidence: 99%

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Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations

et al. 2014

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We report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C-CH 2 CH 3 ) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C-CH 3 ) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a very broad enhancement on which some distinct features are superimposed, namely a resonant-like maximum (located near 3.2 eV), a broad hump (centered around 7.5 eV), and a shoulder (spanned between 12 and 26 eV). The shape of our experimental TCS curve for acetylene closely resembles that reported earlier, while its magnitude is usually larger. As no previous calculations for electron collisions with 1-butyne and propyne are disclosed in the literature, we computed the elastic (ECS) and ionization (ICS) cross sections for these molecules. Similar calculations were also performed for acetylene molecules. The additivity rule was employed to calculate the ECSs from 50 to 3000 eV, while the binary-encounter-Bethe approach was used for computation of the ICSs, from the threshold up to 3000 eV. The sum (ECS + ICS) of these two computed cross sections reasonably reproduces the TCS measurements above 50 eV. Furthermore, the experimental TCS curves, obtained in our laboratory, for a series of acetylenic compounds-acetylene (HC≡CH), propyne (HC≡C-CH 3 ), and 1-butyne (HC≡C-CH 2 CH 3 )-are compared to study the substitutional effect. Finally, the influence of the structural differences on the electron-scattering TCS for isomers of the C 4 H 6 molecule (1-butyne, 2-butyne, and 1,3-butadiene) is indicated and discussed.

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