Electron-impact total cross sections for inelastic processes for furan, tetrahydrofuran and 2,5-dimethylfuran

Abstract

We report total inelastic, total ionisation and summed total excitation cross sections for electron scattering on furan, tetrahydrofuran (THF) and 2,5-dimethylfuran at energies between the ionisation threshold and 5 keV. We have employed the spherical complex optical potential formalism (SCOP) to calculate the total inelastic cross sections (Q inel ) and have used complex scattering potential-ionisation contribution (CSP-ic) method to derive total ionisation cross sections (Q ion ) and summed total excitation cross sections ( Q exc ) from the calculated Q inel . We have also computed Q ion for these molecules using binary-encounter-Bethe (BEB) approach. We have compared our total cross sections (TCS) with available experimental as well as previous theoretical results and have found good agreement. The results are presented graphically as well as numerically.

Ionization and fragmentation of furan molecules by electron collisions

“…Figure 4 compares the present total ionization cross section with that obtained in the recent binary-encounter-Bethe (BEB) calculations by Szmytkowski et al [34] and that derived from the calculated total inelastic cross section using the complex scattering potential-ionization contribution (CSP-ic) method by Limbachiya et al [35]. The agreement between the present measurements and the calculations is entirely satisfactory.…”

“…The AEs obtained using electron impacts are in overall agreement with those determined in previous photoionization experiments. [34] and in the CSP-ic approach by Limbachiya et al [35].…”

Electron interactions with astro chemical compounds

“…These differences in cross sections are expected since the BEB data are precise within about 10 % accuracy with other measurements and theoretical results [44,66].…”

“…The present calculations make use of two distinct methodologies, namely the Spherical Complex Optical Potential (SCOP) [41][42][43] and the Complex Scattering Potential-ionization contribution (CSP-ic) [44,45], which are appropriate for intermediate to high impact energies (ionization threshold to eV) to investigate various molecular processes upon interactions with electrons. We present molecular properties which are employed for this computational work in table 2.…”

“…We have calculated Q ion data for the present molecules using BEB formula [61] to offer a comparison with the results of the CSP-ic method [44,62,63] which employs various additivity rules. In the CSP-ic method we use group additivity rule [62] to develop molecular charge density from the atomic charge densities.…”