Low-energy electron scattering by C2HF5

Citation
Mhf. Bettega et al., Low-energy electron scattering by C2HF5, J CHEM PHYS, 114(15), 2001, pp. 6672-6678
Citations number
41
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
15
Year of publication
2001
Pages
6672 - 6678
Database
ISI
SICI code
0021-9606(20010415)114:15<6672:LESBC>2.0.ZU;2-B
Abstract
We report elastic and electronically inelastic cross sections for low-energ y electron scattering by pentafluoroethane, C2HF5. Our calculations were pe rformed using the Schwinger multichannel method. For elastic scattering, we calculated integral, differential, and momentum transfer cross sections fo r energies from 5 to 50 eV. In the inelastic case, we obtained integral and differential cross sections for electron-impact excitation of the 1 (1,3)A ' and 2 (1,3)A' excited states at the three-channel level of approximation. At higher energies, the elastic differential cross sections are quite simi lar to existing theoretical results for C2F6. Limited electronic-structure calculations were carried out to explore the dissociation behavior of the e xcited states. (C) 2001 American Institute of Physics.