Dissociative electron attachment to carbon dioxide via the 2Πu shape resonance

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.

doi:10.1103/PhysRevA.88.032703

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 ²Π_u shape resonance in CO₂ proceeds to dissociate to CO(¹Σ⁺) + O^-(²P) by DEA.

Authors:

Moradmand, A. ^[1]; Slaughter, D. S. ^[2]; Haxton, D. J. ^[2]; Rescigno, T. N. ^[2]; McCurdy, C. W. ^[3]; Weber, Th. ^[2]; Matsika, S. ^[4]; Landers, A. L. ^[1]; Belkacem, A. ^[2]; Fogle, M. ^[1]

Auburn Univ., AL (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
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),
Temple Univ., Philadelphia, PA (United States)

Publication Date:: Wed Sep 11 00:00:00 EDT 2013

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 - Atomic, Molecular, and Optical Physics

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.

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                    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.  https://doi.org/10.1103/PhysRevA.88.032703

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                    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.  https://doi.org/10.1103/PhysRevA.88.032703.  https://www.osti.gov/servlets/purl/1511370.

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@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 - Atomic, Molecular, and Optical Physics},

  number       = 3,

  volume       = 88,

  place        = {United States},

  year         = {Wed Sep 11 00:00:00 EDT 2013},

  month        = {Wed Sep 11 00:00:00 EDT 2013}

}

Copy to clipboard

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https://doi.org/10.1103/PhysRevA.88.032703

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Figures / Tables:

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 »

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Works referenced in this record:

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Works referencing / citing this record:

Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks
journal, July 2014

Zuev, Dmitry; Jagau, Thomas-C.; Bravaya, Ksenia B.
The Journal of Chemical Physics, Vol. 141, Issue 2
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The Journal of Chemical Physics, Vol. 151, Issue 22
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Kinematic study of $O^{-}$ -ion formation from dissociative electron attachment to ${SO}_{2}$
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Jana, Irina; Nandi, Dhananjay
Physical Review A, Vol. 97, Issue 4
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Probing the molecular structure and properties of neutral and anionic ground states of SO2 and CO2
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Jana, Irina; Naskar, Sumit; Das, Mousumi
The European Physical Journal D, Vol. 73, Issue 11
DOI: 10.1140/epjd/e2019-100314-2

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

Abstract

Citation Formats

Figures / Tables:

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

Kinetic-Energy Distribution of Negative Ions Formed by Dissociative Attachment and the Measurement of the Electron Affinity of Oxygen journal, April 1967

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

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

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

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

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

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

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

Selectivity in the Excitation of Fermi-Coupled Vibrations in CO 2 by Impact of Slow Electrons journal, June 2001

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

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

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

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

Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks journal, July 2014

On-the-fly dynamics simulations of transient anions journal, December 2019

Kinematic study of O − -ion formation from dissociative electron attachment to SO 2 journal, April 2018

Probing the molecular structure and properties of neutral and anionic ground states of SO2 and CO2 journal, November 2019

Title: Dissociative electron attachment to carbon dioxide via the $^{2} Π_{u}$ shape resonance

Vibrational Excitation of CO Fragments in Dissociative Attachment in C $O_{2}$
journal, February 1973

Kinetic-Energy Distribution of Negative Ions Formed by Dissociative Attachment and the Measurement of the Electron Affinity of Oxygen
journal, April 1967

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

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

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 ${}^{2}B_{1}$ 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

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

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

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

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

Selectivity in the Excitation of Fermi-Coupled Vibrations in ${CO}_{2}$ by Impact of Slow Electrons
journal, June 2001

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

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

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

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

Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks
journal, July 2014

On-the-fly dynamics simulations of transient anions
journal, December 2019

Kinematic study of $O^{-}$ -ion formation from dissociative electron attachment to ${SO}_{2}$
journal, April 2018

Probing the molecular structure and properties of neutral and anionic ground states of SO2 and CO2
journal, November 2019