Low-energy electron scattering by methylsilane

Abstract

We report calculated elastic and inelastic cross sections for low-energy electron collisions with methylsilane, CH 3 SiH 3 , obtained using the Schwinger multichannel method. The elastic cross sections, obtained within the static-exchange approximation, are compared with elastic results for C 2 H 6 and Si 2 H 6 . Electron-impact excitation cross sections were computed for sixteen electronic states arising from excitation out of the two highest-lying valence orbitals. The dissociation of the lowest few states was examined through limited electronic-structure calculations, which indicated that the 2 1,3 A 1 states dissociate to CH 3 SiHϩH 2 while the 1 1,3 E states dissociate to CH 3 ϩSiH 3 .

Electron induced chemistry of disilane

“…Fig. 5 compares the present cross sections (TCS and elastic) with the available theoretical data of Winstead et al, 8 Bettega et al, 9,11 Dillon et al 12 and Vinodkumar et al 14 At low energies the present SE calculation shows excellent agreement with the all electron Schwinger multichannel (SMC-ae) calculation of Bettega et al 11 done within the SE approximation throughout their energy range. The resonance structure predicted by both the calculations, present (SE) and the SMC-ae are very close to each other at 3.3 and 3.4 eV respectively.…”

“…In SMC-pp version the core electrons are substituted by the pseudo-potentials and only the valence electrons are taken into consideration and described explicitly. The results are obtained within the SE approximation and are compared with the previous SMC-ae results of Winstead et al 8 Later Bettega et al 10,11 used SMC method for the calculation of integral and differential cross sections for elastic scattering of electrons by X 2 H 6 (X ¼ B, C, Si, Ge) and methylsilane. The calculations were performed within SE approximation.…”

“…There are very few experimental and theoretical works carried out for this target. At low energy regime there is a serious disagreement between the experiments of Dillon et al 12 and Szmytkowski et al 6 The SMC and CMS calculations of Bettega et al [9][10][11] and Dillon et al 12 for elastic cross sections at low energies shows deviation from each other and the position of resonance and magnitude of cross section does not give a good agreement. In the intermediate energy range, Vinodkumar et al 14 have computed the total cross section for disilane from ionization threshold to 5000 eV using spherical complex optical potential (SCOP) formalism.…”