Elastic scattering of low-energy electrons by nitromethane

Journal Article · Wed Jun 15 00:00:00 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, Vol. 83, Issue 6; Other Information: DOI: 10.1103/PhysRevA.83.062713; (c) 2011 American Institute of Physics; ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

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