Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments

doi:10.3390/atoms7030075

Title: Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments

Abstract

We present convergent close-coupling (CCC) calculations of electron-impact dissociation of vibrationally-excited molecular hydrogen into neutral fragments. This work follows from our previous results for dissociation of molecular hydrogen in the ground vibrational level [Scarlett et al., Eur. Phys. J. D 72, 34 (2018)], which were obtained from calculations performed in a spherical coordinate system. The present calculations, performed utilizing a spheroidal formulation of the molecular CCC method, reproduce the previous dissociation cross sections for the ground vibrational level, while allowing the extension to scattering on excited levels.

Authors:

^[1]; Savage, Jeremy S. ^[1];

^[1];

^[2];

^[1]

Curtin Univ., Perth, WA (Australia)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: 2019-08-06

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1557173

Report Number(s):: LA-UR-19-27867
Journal ID: ISSN 2218-2004; ATOMC5

Grant/Contract Number:: 89233218CNA000001

Resource Type:: Accepted Manuscript

Journal Name:: Atoms

Additional Journal Information:: Journal Volume: 7; Journal Issue: 3; Journal ID: ISSN 2218-2004

Publisher:: MDPI

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats


                    Scarlett, Liam H., Savage, Jeremy S., Fursa, Dmitry V., Zammit, Mark C., and Bray, Igor. Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments.  United States: N. p., 2019. 
        Web.  doi:10.3390/atoms7030075.

Copy to clipboard


                    Scarlett, Liam H., Savage, Jeremy S., Fursa, Dmitry V., Zammit, Mark C., & Bray, Igor. Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments.  United States.  doi:10.3390/atoms7030075.

Copy to clipboard


                    Scarlett, Liam H., Savage, Jeremy S., Fursa, Dmitry V., Zammit, Mark C., and Bray, Igor. Tue .  
        "Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments".  United States.  doi:10.3390/atoms7030075.  https://www.osti.gov/servlets/purl/1557173.

Copy to clipboard


                    
@article{osti_1557173,

  title        = {Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments},

  author       = {Scarlett, Liam H. and Savage, Jeremy S. and Fursa, Dmitry V. and Zammit, Mark C. and Bray, Igor},

  abstractNote = {We present convergent close-coupling (CCC) calculations of electron-impact dissociation of vibrationally-excited molecular hydrogen into neutral fragments. This work follows from our previous results for dissociation of molecular hydrogen in the ground vibrational level [Scarlett et al., Eur. Phys. J. D 72, 34 (2018)], which were obtained from calculations performed in a spherical coordinate system. The present calculations, performed utilizing a spheroidal formulation of the molecular CCC method, reproduce the previous dissociation cross sections for the ground vibrational level, while allowing the extension to scattering on excited levels.},

  doi          = {10.3390/atoms7030075},

  journal      = {Atoms},

  number       = 3,

  volume       = 7,

  place        = {United States},

  year         = {2019},

  month        = {8}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

DOI: 10.3390/atoms7030075

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen
journal, November 1995

Liu, Xianming; Ahmed, Syed M.; Multari, Rosalie A.
The Astrophysical Journal Supplement Series, Vol. 101
DOI: 10.1086/192246

Effective ionization and dissociation rate coefficients of molecular hydrogen in plasma
journal, September 1995

Sawada, Keiji; Fujimoto, Takashi
Journal of Applied Physics, Vol. 78, Issue 5
DOI: 10.1063/1.360037

High‐Resolution Electron‐Impact Emission Spectrum of H ₂ . I. Cross Sections and Emission Yields 900–1200 A
journal, July 2000

Jonin, C.; Liu, Xianming; Ajello, J. M.
The Astrophysical Journal Supplement Series, Vol. 129, Issue 1
DOI: 10.1086/313414

Cross Sections for Electron Collisions with Hydrogen Molecules
journal, June 2008

Yoon, Jung-Sik; Song, Mi-Young; Han, Jeong-Min
Journal of Physical and Chemical Reference Data, Vol. 37, Issue 2
DOI: 10.1063/1.2838023

Dissociation of Molecular Hydrogen by Electron Impact
journal, December 1965

Corrigan, S. J. B.
The Journal of Chemical Physics, Vol. 43, Issue 12
DOI: 10.1063/1.1696701

Electron-impact dissociation of molecular hydrogen into neutral fragments
journal, February 2018

Scarlett, Liam H.; Tapley, Jonathan K.; Fursa, Dmitry V.
The European Physical Journal D, Vol. 72, Issue 2
DOI: 10.1140/epjd/e2017-80649-8

Electron-impact excitation of molecular hydrogen
journal, February 2017

Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.
Physical Review A, Vol. 95, Issue 2
DOI: 10.1103/PhysRevA.95.022708

Application of the close-coupling method to excitation of electronic states and dissociation of $H_{2}$ by electron impact
journal, June 1978

Chung, Sunggi; Lin, Chun C.
Physical Review A, Vol. 17, Issue 6
DOI: 10.1103/PhysRevA.17.1874

Non-Franck-Condon electron-impact dissociative-excitation cross sections of molecular hydrogen producing $H (1 s) + H (2 l)$ through $X^{1} Σ_{g}^{+} (v = 0) \to {B^{1} Σ_{u}^{+}$ , $B^{'}^{1} Σ_{u}^{+},$ $C^{1} Π_{u}}$
journal, February 1998

Borges, Itamar; Jalbert, Ginette; Bielschowsky, Carlos Eduardo
Physical Review A, Vol. 57, Issue 2
DOI: 10.1103/PhysRevA.57.1025

Near-threshold electron impact dissociation of H ₂ within the adiabatic nuclei approximation
journal, January 1999

Stibbe, Darian T.; Tennyson, Jonathan
New Journal of Physics, Vol. 1
DOI: 10.1088/1367-2630/1/1/002

Electron and photon dissociation cross sections of the D ₂ singlet ungerade continua
journal, May 2012

Liu, Xianming; Shemansky, Donald E.; Johnson, Paul V.
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 10
DOI: 10.1088/0953-4075/45/10/105203

Rates for the Electron Impact Dissociation of Molecular Hydrogen
journal, March 1999

Stibbe, Darian T.; Tennyson, Jonathan
The Astrophysical Journal, Vol. 513, Issue 2
DOI: 10.1086/311918

Electron-impact dissociative excitation cross sections for singlet states of molecular hydrogen
journal, September 2018

Tapley, Jonathan K.; Scarlett, Liam H.; Savage, Jeremy S.
Physical Review A, Vol. 98, Issue 3
DOI: 10.1103/PhysRevA.98.032701

Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade
journal, February 2019

Scarlett, Liam H.; Tapley, Jonathan K.; Savage, Jeremy S.
Plasma Sources Science and Technology, Vol. 28, Issue 2
DOI: 10.1088/1361-6595/ab005b

Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen
journal, June 2018

Tapley, Jonathan K.; Scarlett, Liam H.; Savage, Jeremy S.
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 51, Issue 14
DOI: 10.1088/1361-6455/aac8fa

Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method
journal, May 2017

Zammit, Mark C.; Fursa, Dmitry V.; Savage, Jeremy S.
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 50, Issue 12
DOI: 10.1088/1361-6455/aa6e74

The theory of electron-molecule collisions
journal, January 1980

Lane, N. F.
Reviews of Modern Physics, Vol. 52, Issue 1
DOI: 10.1103/RevModPhys.52.29

ANALYSIS OF ELECTRON-IMPACT EXCITATION AND EMISSION OF THE np σ ¹ Σ ⁺ _u AND np π ¹ Π _u RYDBERG SERIES OF H ₂
journal, December 2008

Glass-Maujean, Michèle; Liu, Xianming; Shemansky, Donald E.
The Astrophysical Journal Supplement Series, Vol. 180, Issue 1
DOI: 10.1088/0067-0049/180/1/38

Differential cross sections for near-threshold electron impact dissociation of molecular hydrogen
journal, July 2001

Trevisan, Cynthia S.; Tennyson, Jonathan
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 15
DOI: 10.1088/0953-4075/34/15/301

Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium
journal, June 2002

Trevisan, Cynthia S.; Tennyson, Jonathan
Plasma Physics and Controlled Fusion, Vol. 44, Issue 7
DOI: 10.1088/0741-3335/44/7/315

Similar Records in DOE PAGES and OSTI.GOV collections:

Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: I. Fully vibrationally-resolved electronic excitation of $(H$ $$^1Σ^+_g)$$

Journal Article Scarlett, Liam H. ; Fursa, D. V. ; Zammit, Mark Christian ; ... - Atomic Data and Nuclear Data Tables

We presenmore »« less
DOI: 10.1016/j.adt.2020.101361
Dissociative recombination of H{sub 2}{sup +}: Product state information and very large cross sections of vibrationally excited H{sub 2}{sup +}

Journal Article van der Zande, W J ; Semaniak, J ; Zengin, V ; ... - Physical Review A

We report experiments on dissociative recombination (DR) of HD{sup +} and H{sub 2}{sup +}. Product state information has been obtained over a wide range of electron energies with a position sensitive detector consisting of a graded absorber in combination with a surface-barrier detector. At low electron energies ({lt}3 eV) hydrogen atoms are formed preferentially in highly excited states ({ital n}{gt}2); at high electron energies ({gt}12 eV) both hydrogen fragments are excited. The dissociative recombination rate of H{sub 2}{sup +} has been measured also as a function of storage time in the energy range of 0 eV to 20 eV. Wemore »« less
DOI: 10.1103/PhysRevA.54.5010
Inelastic processses from vibrationally excited states in slow H{sup +}+H{sub 2} and H+H{sub 2}{sup +} collisions. II. Dissociation

Journal Article Krstic, P S ; Janev, R K ; Forschungszentrum Juelich, Institute for Plasma Physics, D-52425 Juelich - Physical Review. A

We present a detailed quantum-mechanical study for dissociation of vibrationally excited molecular diatomic target, of H{sub 2}({nu}{sub i}) by proton impact and H{sub 2}{sup +}({nu}{sub i}) by hydrogen-atom impact, in the range of center-of-mass collision energies from threshold to 9.5 eV. The dominant dissociation mechanisms in this three-atomic collision system are identified and their effectiveness analyzed for different collision geometries. The cross section calculations for direct and charge-transfer dissociation are performed by solving the Schroedinger equation for the nuclear and electronic motions on the two lowest diabatic electronic surfaces of H{sub 3}{sup +}, and by using an expansion of nuclearmore »« less
DOI: 10.1103/PhysRevA.67.022708
Dissociative recombination of H{sub 3}{sup +} in the ground and excited vibrational states

Journal Article Fonseca dos Santos, Samantha ; Kokoouline, Viatcheslav ; Greene, Chris H ; ... - Journal of Chemical Physics

The article presents calculated dissociative recombination (DR) rate coefficients for H{sub 3}{sup +}. The previous theoretical work on H{sub 3}{sup +} was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states and it considered just a limited number of ionic rotational states. In this study, we use accurate vibrational wave functions and a larger number of possible rotational states of the H{sub 3}{sup +} ground vibrational level. The DR rate coefficient obtained is found to agree better with the experimental data from storage ring experiments than the previous theoretical calculation. We present evidence that excited rotationalmore »« less
DOI: 10.1063/1.2784275
Kinetic-energy release of fragments from electron-impact dissociation of the molecular hydrogen ion and its isotopologues

Journal Article Scarlett, Liam H. ; Zammit, Mark C. ; Fursa, Dmitry V. ; ... - Physical Review A

We calculate here the kinetic-energy release distributions of fragments produced for electron-impact dissociation of the vibrationally excited molecular hydrogen ionmore »« less
Cited by 2
DOI: 10.1103/PhysRevA.96.022706

Full Text Available

Similar Records

Title: Electron-Impact Dissociation of Vibrationally-Excited Molecular Hydrogen into Neutral Fragments

Abstract

Citation Formats

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen journal, November 1995

Effective ionization and dissociation rate coefficients of molecular hydrogen in plasma journal, September 1995

High‐Resolution Electron‐Impact Emission Spectrum of H 2 . I. Cross Sections and Emission Yields 900–1200 A journal, July 2000

Cross Sections for Electron Collisions with Hydrogen Molecules journal, June 2008

Dissociation of Molecular Hydrogen by Electron Impact journal, December 1965

Electron-impact dissociation of molecular hydrogen into neutral fragments journal, February 2018

Electron-impact excitation of molecular hydrogen journal, February 2017

Application of the close-coupling method to excitation of electronic states and dissociation of H 2 by electron impact journal, June 1978

Non-Franck-Condon electron-impact dissociative-excitation cross sections of molecular hydrogen producing H ( 1 s ) + H ( 2 l ) through X 1 Σ g + ( v = 0 ) → { B 1 Σ u + , B ′ 1 Σ u + , C 1 Π u } journal, February 1998

Near-threshold electron impact dissociation of H 2 within the adiabatic nuclei approximation journal, January 1999

Electron and photon dissociation cross sections of the D 2 singlet ungerade continua journal, May 2012

Rates for the Electron Impact Dissociation of Molecular Hydrogen journal, March 1999

Electron-impact dissociative excitation cross sections for singlet states of molecular hydrogen journal, September 2018

Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade journal, February 2019

Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen journal, June 2018

Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method journal, May 2017

The theory of electron-molecule collisions journal, January 1980

ANALYSIS OF ELECTRON-IMPACT EXCITATION AND EMISSION OF THE np σ 1 Σ + u AND np π 1 Π u RYDBERG SERIES OF H 2 journal, December 2008

Differential cross sections for near-threshold electron impact dissociation of molecular hydrogen journal, July 2001

Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium journal, June 2002

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen
journal, November 1995

Effective ionization and dissociation rate coefficients of molecular hydrogen in plasma
journal, September 1995

High‐Resolution Electron‐Impact Emission Spectrum of H ₂ . I. Cross Sections and Emission Yields 900–1200 A
journal, July 2000

Cross Sections for Electron Collisions with Hydrogen Molecules
journal, June 2008

Dissociation of Molecular Hydrogen by Electron Impact
journal, December 1965

Electron-impact dissociation of molecular hydrogen into neutral fragments
journal, February 2018

Electron-impact excitation of molecular hydrogen
journal, February 2017

Application of the close-coupling method to excitation of electronic states and dissociation of $H_{2}$ by electron impact
journal, June 1978

Non-Franck-Condon electron-impact dissociative-excitation cross sections of molecular hydrogen producing $H (1 s) + H (2 l)$ through $X^{1} Σ_{g}^{+} (v = 0) \to {B^{1} Σ_{u}^{+}$ , $B^{'}^{1} Σ_{u}^{+},$ $C^{1} Π_{u}}$
journal, February 1998

Near-threshold electron impact dissociation of H ₂ within the adiabatic nuclei approximation
journal, January 1999

Electron and photon dissociation cross sections of the D ₂ singlet ungerade continua
journal, May 2012

Rates for the Electron Impact Dissociation of Molecular Hydrogen
journal, March 1999

Electron-impact dissociative excitation cross sections for singlet states of molecular hydrogen
journal, September 2018

Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade
journal, February 2019

Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen
journal, June 2018

Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method
journal, May 2017

The theory of electron-molecule collisions
journal, January 1980

ANALYSIS OF ELECTRON-IMPACT EXCITATION AND EMISSION OF THE np σ ¹ Σ ⁺ _u AND np π ¹ Π _u RYDBERG SERIES OF H ₂
journal, December 2008

Differential cross sections for near-threshold electron impact dissociation of molecular hydrogen
journal, July 2001

Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium
journal, June 2002