Low-energy electron scattering from methanol and ethanol


Autoria(s): KHAKOO, M. A.; BLUMER, J.; KEANE, K.; CAMPBELL, C.; SILVA, H.; LOPES, M. C. A.; WINSTEAD, C.; MCKOY, V.; COSTA, R. F. da; FERREIRA, L. G.; LIMA, M. A. P.; BETTEGA, M. H. F.
Contribuinte(s)

UNIVERSIDADE DE SÃO PAULO

Data(s)

19/04/2012

19/04/2012

2008

Resumo

Measured and calculated differential cross sections for elastic (rotationally unresolved) electron scattering from two primary alcohols, methanol (CH(3)OH) and ethanol (C(2)H(5)OH), are reported. The measurements are obtained using the relative flow method with helium as the standard gas and a thin aperture as the collimating target gas source. The relative flow method is applied without the restriction imposed by the relative flow pressure conditions on helium and the unknown gas. The experimental data were taken at incident electron energies of 1, 2, 5, 10, 15, 20, 30, 50, and 100 eV and for scattering angles of 5 degrees-130 degrees. There are no previous reports of experimental electron scattering differential cross sections for CH(3)OH and C(2)H(5)OH in the literature. The calculated differential cross sections are obtained using two different implementations of the Schwinger multichannel method, one that takes all electrons into account and is adapted for parallel computers, and another that uses pseudopotentials and considers only the valence electrons. Comparison between theory and experiment shows that theory is able to describe low-energy electron scattering from these polyatomic targets quite well.

Identificador

PHYSICAL REVIEW A, v.77, n.4, 2008

1050-2947

http://producao.usp.br/handle/BDPI/16636

10.1103/PhysRevA.77.042705

http://dx.doi.org/10.1103/PhysRevA.77.042705

Idioma(s)

eng

Publicador

AMER PHYSICAL SOC

Relação

Physical Review A

Direitos

restrictedAccess

Copyright AMER PHYSICAL SOC

Palavras-Chave #MOLECULAR-ORBITAL METHODS #ELASTIC CROSS-SECTIONS #GAUSSIAN-TYPE BASIS #CONDENSED METHANOL #ORGANIC-MOLECULES #IMPACT EXCITATION #VIRTUAL ORBITALS #BEAM EXPERIMENTS #BASIS SETS #GAS-PHASE #Optics #Physics, Atomic, Molecular & Chemical
Tipo

article

original article

publishedVersion