Elastic scattering of low-energy electrons by nitromethane

Journal Article · Wed Jun 15 04:00:00 EDT 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.83.062713· OSTI ID:21550117

Lopes, A R; D'A Sanchez, S; Bettega, M H. F. ^[1]

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1. Departamento de Fisica, Universidade Federal do Parana, Caixa Postal 19044, 81531-990 Curitiba, Parana (Brazil)

In this work, we present integral, differential, and momentum transfer cross sections for elastic scattering of low-energy electrons by nitromethane, for energies up to 10 eV. We calculated the cross sections using the Schwinger multichannel method with pseudopotentials, in the static-exchange and in the static-exchange plus polarization approximations. The computed integral cross sections show a {pi}* shape resonance at 0.70 eV in the static-exchange-polarization approximation, which is in reasonable agreement with experimental data. We also found a {sigma}* shape resonance at 4.8 eV in the static-exchange-polarization approximation, which has not been previously characterized by the experiment. We also discuss how these resonances may play a role in the dissociation process of this molecule.

• OSTI ID: 21550117
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 6 Vol. 83; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CALCULATION METHODS
CHEMICAL EXPLOSIVES
CROSS SECTIONS
DATA
DISSOCIATION
ELASTIC SCATTERING
ELECTRONS
ELEMENTARY PARTICLES
ENERGY RANGE
EV RANGE
EXPERIMENTAL DATA
EXPLOSIVES
FERMIONS
INFORMATION
INTEGRAL CROSS SECTIONS
LEPTONS
MOLECULES
MOMENTUM TRANSFER
NITRO COMPOUNDS
NITROMETHANE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
POLARIZATION
POTENTIALS
RESONANCE
SCATTERING
SCHWINGER VARIATIONAL METHOD
VARIATIONAL METHODS