skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dissociative electron attachment to carbon dioxide via the 2 Π u shape resonance

Abstract

Momentum imaging measurements from two experiments are presented and interpreted with the aid of ab initio theoretical calculations to describe the dissociative electron attachment (DEA) dynamics of CO2. The dynamics of the transient negative ions of CO-2 involve several conical intersections taking part in mechanisms that have only recently been understood. We address the problem of how the 4-eV 2Πu shape resonance in CO2 proceeds to dissociate to CO(1Σ+) + O-(2P) by DEA.

Authors:
 [1];  [2];  [2];  [2];  [3];  [2];  [4];  [1];  [2];  [1]
  1. Auburn Univ., AL (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Davis, CA (United States). Nanomaterials in the Environment, Agriculture, and Technology Organized Research Unit (NEAT ORU),
  4. Temple Univ., Philadelphia, PA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Chemical Sciences, Geosciences & Biosciences Division (SC-22.1)
OSTI Identifier:
1511370
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. A
Additional Journal Information:
Journal Volume: 88; Journal Issue: 3; Journal ID: ISSN 1050-2947
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Moradmand, A., Slaughter, D. S., Haxton, D. J., Rescigno, T. N., McCurdy, C. W., Weber, Th., Matsika, S., Landers, A. L., Belkacem, A., and Fogle, M. Dissociative electron attachment to carbon dioxide via the 2Πu shape resonance. United States: N. p., 2013. Web. doi:10.1103/PhysRevA.88.032703.
Moradmand, A., Slaughter, D. S., Haxton, D. J., Rescigno, T. N., McCurdy, C. W., Weber, Th., Matsika, S., Landers, A. L., Belkacem, A., & Fogle, M. Dissociative electron attachment to carbon dioxide via the 2Πu shape resonance. United States. doi:10.1103/PhysRevA.88.032703.
Moradmand, A., Slaughter, D. S., Haxton, D. J., Rescigno, T. N., McCurdy, C. W., Weber, Th., Matsika, S., Landers, A. L., Belkacem, A., and Fogle, M. Wed . "Dissociative electron attachment to carbon dioxide via the 2Πu shape resonance". United States. doi:10.1103/PhysRevA.88.032703. https://www.osti.gov/servlets/purl/1511370.
@article{osti_1511370,
title = {Dissociative electron attachment to carbon dioxide via the 2Πu shape resonance},
author = {Moradmand, A. and Slaughter, D. S. and Haxton, D. J. and Rescigno, T. N. and McCurdy, C. W. and Weber, Th. and Matsika, S. and Landers, A. L. and Belkacem, A. and Fogle, M.},
abstractNote = {Momentum imaging measurements from two experiments are presented and interpreted with the aid of ab initio theoretical calculations to describe the dissociative electron attachment (DEA) dynamics of CO2. The dynamics of the transient negative ions of CO-2 involve several conical intersections taking part in mechanisms that have only recently been understood. We address the problem of how the 4-eV 2Πu shape resonance in CO2 proceeds to dissociate to CO(1Σ+) + O-(2P) by DEA.},
doi = {10.1103/PhysRevA.88.032703},
journal = {Physical Review. A},
number = 3,
volume = 88,
place = {United States},
year = {2013},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 15 works
Citation information provided by
Web of Science

Figures / Tables:

FIG. 1 FIG. 1: (color online). Laboratory-frame O momentum distribution following DEA to CO2 at 4.1 eV nominal electron beam energy (a), 4.6 eV (c), measured using the LBNL apparatus. The 4.4 eV data (b) was measured using the Auburn apparatus on a colder CO2 target that is better spatially confined, resultingmore » in a higher momentum resolution. In each plot the incident electron direction is longitudinal, pointing upwards. The color-scales are linear and represent ion yield in arbitrary units.« less

Save / Share:

Works referenced in this record:

Vibrational Excitation of CO Fragments in Dissociative Attachment in C O 2
journal, February 1973


Vibrational excitation in C O 2 via the 3.8-eV resonance
journal, May 1974


Threshold Vibrational Excitation of C O 2 by Slow Electrons
journal, February 2004


Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992

  • Kendall, Rick A.; Dunning, Thom H.; Harrison, Robert J.
  • The Journal of Chemical Physics, Vol. 96, Issue 9
  • DOI: 10.1063/1.462569

Renner-Teller effect on dissociative electron attachment to carbon dioxide
journal, May 2012


Momentum-imaging apparatus for the study of dissociative electron attachment dynamics
journal, March 2013

  • Moradmand, A.; Williams, J. B.; Landers, A. L.
  • Review of Scientific Instruments, Vol. 84, Issue 3
  • DOI: 10.1063/1.4794093

Production of O− from CO2 by dissociative electron attachment
journal, April 1983


Dissociative-electron-attachment dynamics near the 8-eV Feshbach resonance of CO 2
journal, August 2013


Angular dependence of dissociative electron attachment to polyatomic molecules: Application to the B 1 2 metastable state of the H 2 O and H 2 S anions
journal, June 2006


Resonant vibrational excitation of CO 2 by electron impact: Nuclear dynamics on the coupled components of the 2 Π u resonance
journal, April 2003


A classical trajectory study of the fragmentation of CO 2 2 Σ + g
journal, November 1979

  • Sizun, M.; Goursaud, S.
  • The Journal of Chemical Physics, Vol. 71, Issue 10
  • DOI: 10.1063/1.438172

Low-energy electron-molecule scattering: Application of coupled-channel theory to e -C O 2 collisions
journal, June 1977

  • Morrison, Michael A.; Lane, Neal F.; Collins, Lee A.
  • Physical Review A, Vol. 15, Issue 6
  • DOI: 10.1103/PhysRevA.15.2186

Energy partitioning in the O−/CO2 dissociative attachment
journal, January 1985


A momentum imaging microscope for dissociative electron attachment
journal, February 2012

  • Adaniya, H.; Slaughter, D. S.; Osipov, T.
  • Review of Scientific Instruments, Vol. 83, Issue 2
  • DOI: 10.1063/1.3685244

Vibrational structures in electron CO 2 scattering below the 2   u shape resonance
journal, August 2002


Potential energy surface of the CO2? anion
journal, January 2004

  • Sommerfeld, Thomas; Meyer, Hans-Dieter; Cederbaum, Lorenz S.
  • Physical Chemistry Chemical Physics, Vol. 6, Issue 1
  • DOI: 10.1039/b312005h

Observation of the dynamics leading to a conical intersection in dissociative electron attachment to water
journal, September 2011


Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
journal, January 1989

  • Dunning, Thom H.
  • The Journal of Chemical Physics, Vol. 90, Issue 2
  • DOI: 10.1063/1.456153

Calculation of the density of resonance states using the stabilization method
journal, March 1993


Theoretical study of resonant vibrational excitation of CO 2 by electron impact
journal, February 2002


Dissociative Attachment in Carbon Dioxide
journal, October 1972

  • Chantry, P. J.
  • The Journal of Chemical Physics, Vol. 57, Issue 8
  • DOI: 10.1063/1.1678736

Dissociative electron attachment to carbon dioxide via the 8.2 eV Feshbach resonance
journal, September 2011

  • Slaughter, D. S.; Adaniya, H.; Rescigno, T. N.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 44, Issue 20
  • DOI: 10.1088/0953-4075/44/20/205203

    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.