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Type: Artigo de periódico
Title: Low-energy electron collisions with acetic acid
Author: Freitas, TC
Varella, MTD
da Costa, RF
Lima, MAP
Bettega, MHF
Abstract: We present cross sections for elastic collisions of low-energy electrons with acetic acid. We employed the Schwinger multichannel method with pseudopotentials in the static-exchange and static-exchange plus polarization approximations, for energies ranging from 0.1 to 10 eV. We found a pi(*) shape resonance around 1.7 eV, corresponding to the A(') symmetry of the C(s) group. This resonant state was assigned to the experimental dissociative electron attachment peak at 1.7 eV yielding CH(3)COO(-)+H. We also performed a series of electronic structure calculations using a small basis set for acetic, formic, and trifluoroacetic acids, which exhibit a similar behavior with respect to the dissociative electron attachment. We believe that hydrogen elimination triggered off by electron capture into a pi(*) resonance could be a general property of carboxylic acids.
Subject: electron attachment
electron capture
ground states
molecular configurations
molecule-electron collisions
organic compounds
pseudopotential methods
Country: EUA
Editor: Amer Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevA.79.022706
Date Issue: 2009
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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