Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
| Autor: | Natalia Tańska, Pedro A. S. Randi, Sylwia Stefanowska-Tur, Giseli M. Moreira, Elżbieta Ptasińska-Denga, Márcio H. F. Bettega, Czesław Szmytkowski, Paweł Możejko |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | The Journal of Chemical Physics. 157:154301 |
| ISSN: | 1089-7690 0021-9606 |
| Popis: | Absolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The low-energy elastic integral, differential, and momentum transfer cross sections were calculated with the Schwinger multichannel method implemented with pseudopotentials, in the static-exchange and static-exchange plus polarization levels of approximation, for energies up to 30 eV. The integral cross section calculated for low-energy electron scattering with the R-matrix method within the static-exchange and static-exchange plus polarization approximations for energies up to 15 eV are also reported. By the inspection of the cross sections, the presence of resonances is discussed. In particular, the calculated integral cross sections and the measured total cross section display a minimum at around 1 eV, which is consistent with the presence of a Ramsauer–Townsend minimum and a sharp increase at low energies, which is consistent with the presence of a virtual state. Additionally, interactions in elastic and ionization channels for intermediate collision energies were investigated with the additivity rule and the binary-encounter-Bethe methods. |
| Databáze: | OpenAIRE |
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