Electron interaction with dimethyl disulfide in the low- and intermediate-energy range

Abstract

We report a joint theoretical-experimental investigation on elastic electron scattering by dimethyl disulfide (DMDS) in the low-and intermediate-energy regions. Experimental angular distributions of the elastically scattered electrons were measured in the 10-800 eV and 5 • -130 • range using a crossed electron beam-molecular beam geometry. The absolute values of the differential cross sections (DCS) were obtained using the relative-flow technique. Also, integral (ICS) and momentumtransfer (MTCS) cross sections were derived from the experimental DCS via a numerical integration procedure. Theoretically, DCS, ICS, MTCS, grand-total (TCS) and total absorption (TACS) cross sections are reported in the 1-500 eV range. In our calculations, a complex optical potential was used to represent the collision dynamics and a single-center expansion method combined with the Padé approximation was used to solve the scattering equations. Our experimental data are in good agreement with the present calculated data. Comparisons with other theoretical results are also made.

Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)

“…The fact that the first two resonances of their work are shifted to lower energies relative to ours is due to the different ways to account for the polarization effects in the calculations. The dependence of the position and width of resonances on the polarization potential is clearly shown in figure 3 in their work and was also discussed in some of our previous works [29,31]. Quantitatively, the present experimental ICS data agree very well with our calculated results using both the MCOP and IAM-AR, and with the SMCPP+Born ICS of Krupa et al [24] while the IAM-SCAR calculations [24] overestimate systematically our experimental data.…”

“…The singlecenter expansion of such interaction potentials for the nuclei lying couple of angstrons away from the origin would require hundreds of partial waves to be included, which is not feasible for our present computational facilities. Thus the differences seen between the MCOP calculation and experiments are essentially due to the lack of convergence in the partial-wave expansion of the scattering wave functions [31]. In contrast, the electron-nuclei interaction is well represented by the IAM since the multicentric nature of the interaction potential is used in these calculations [59].…”

“…The theory used in this work has been described previously [25][26][27]31]. A complex potential composed of static-exchange, correlation-polarization, and absorption contributions is used to represent the interaction of electron and target.…”

“…Moreover, theoretical modeling of the electron-CH 2 Cl 2 scattering was performed in UFSCar. The DCS, ICS, MTCS, TCS, and TACS were calculated using the molecular complex optical potential (MCOP) model combined with the Padé approximation in the 0.5-500eV E range [25][26][27][28][29][30][31]. At 50eV and above, DCS were also calculated using the standard independent-atom model (IAM), and ICS, MTCS and TCS were obtained in the additivity rule (AR) approach [32].…”

Collisions of low- to intermediate-energy electrons with acetonitrile

“…The inclusion of higher partial waves was accomplished in the same manner as mentioned in [37,38]. The codes for this task were not originally implemented in ePSE3, but this was already made in another suite that we have extensively used in previous works of our group [37][38][39][40][41][42][43][44][45].…”