Kinetic-energy release of fragments from electron-impact dissociation of the molecular hydrogen ion and its isotopologues

Scarlett, Liam H.; Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

doi:10.1103/PhysRevA.96.022706

Kinetic-energy release of fragments from electron-impact dissociation of the molecular hydrogen ion and its isotopologues

Journal Article · Fri Aug 18 00:00:00 EDT 2017 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.96.022706· OSTI ID:1514929

Scarlett, Liam H. ^[1]; Zammit, Mark C. ^[2]; Fursa, Dmitry V. ^[1]; Bray, Igor ^[1]

Curtin Univ., Perth, WA (Australia). Curtin Inst. for Computation. Dept. of Physics, Astronomy and Medical Radiation Sciences
Curtin Univ., Perth, WA (Australia). Curtin Inst. for Computation. Dept. of Physics, Astronomy and Medical Radiation Sciences; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

We calculate here the kinetic-energy release distributions of fragments produced for electron-impact dissociation of the vibrationally excited molecular hydrogen ion $${{\mathrm{H}}_{2}}^{+}$$ and its isotopologues $${{\mathrm{D}}_{2}}^{+}$$ and $${{\mathrm{T}}_{2}}^{+}$$. Here we apply the adiabatic-nuclei convergent close-coupling method and compare results with several different methods, including the $${\delta}$$ approximation. Results are presented for a number of dissociative excitation transitions and dissociative ionization as a function of the initial vibrational state of the molecule. We confirm that the square root approximation is a good approximation for the adiabatic-nuclei kinetic-energy release cross sections of $${{\mathrm{H}}_{2}}^{+}$$. Agreement with experiment, where available, is good.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: Australian Research Council; USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1514929

Alternate ID(s):: OSTI ID: 1375556

Report Number(s):: LA-UR--17-23201

Journal Information:: Physical Review A, Journal Name: Physical Review A Journal Issue: 2 Vol. 96; ISSN 2469-9926

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (42)

Theory of electron degradation and yields of initial molecular species produced by ionizing radiation Inokuti, Mitio; Dillon, Michael A.; Kimura, Mineo International Journal of Quantum Chemistry, Vol. 32, Issue S21 https://doi.org/10.1002/qua.560320728	journal	March 1987
Energy Deposition in Planetary Atmospheres by Charged Particles and Solar Photons Fox, Jane L.; Galand, Marina I.; Johnson, Robert E. Space Science Reviews, Vol. 139, Issue 1-4 https://doi.org/10.1007/s11214-008-9403-7	journal	August 2008
Ab initio nonadiabatic vibrational energies of the hydrogen molecule ion Wolniewicz, L.; Poll, J. D. Journal of Molecular Spectroscopy, Vol. 72, Issue 2 https://doi.org/10.1016/0022-2852(78)90126-1	journal	August 1978
Survey and compilation of stopping power data conducted by the International Commission on Radiation Units and Measurements Mitio, Inokuti; Berger, Martin J. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 27, Issue 2 https://doi.org/10.1016/0168-583X(87)90562-3	journal	June 1987
Dipole strengths involving the lowest twenty electronic states of H+2 Ramaker, David E.; Peek, James M. Atomic Data and Nuclear Data Tables, Vol. 5, Issue 2 https://doi.org/10.1016/S0092-640X(73)80002-6	journal	January 1973
Franck–Condon factors for molecule–ion reactions of and its isotopomers Wünderlich, D.; Fantz, U. Atomic Data and Nuclear Data Tables, Vol. 97, Issue 2 https://doi.org/10.1016/j.adt.2010.12.001	journal	March 2011
Complete photo-fragmentation of the deuterium molecule Weber, T.; Czasch, A. O.; Jagutzki, O. Nature, Vol. 431, Issue 7007 https://doi.org/10.1038/nature02839	journal	September 2004
Series expansions for Franck‐Condon factors. I. Linear potential and the reflection approximation Gislason, E. A. The Journal of Chemical Physics, Vol. 58, Issue 9 https://doi.org/10.1063/1.1679721	journal	May 1973
Energy spectrum of protons produced in collisional dissociation of fast H2+ ions Caudano, R.; Delfosse, J. M. Journal of Physics B: Atomic and Molecular Physics, Vol. 1, Issue 5 https://doi.org/10.1088/0022-3700/1/5/307	journal	September 1968
Collision processes of electrons with molecular hydrogen ions Mathur, D.; Khan, S. U.; Hasted, J. B. Journal of Physics B: Atomic and Molecular Physics, Vol. 12, Issue 12 https://doi.org/10.1088/0022-3700/12/12/022	journal	June 1979
Collisions between electrons and H ₂ ⁺ ions. IV. Measurements of cross sections for dissociative ionization Peart, B.; Dolder, K. T. Journal of Physics B: Atomic and Molecular Physics, Vol. 6, Issue 11 https://doi.org/10.1088/0022-3700/6/11/036	journal	November 1973
A measurement of the cross section for proton production in collisions between electrons and H ₂ ⁺ ions Dance, D. F.; Harrison, M. F. A.; Rundel, R. D. Proceedings of the Physical Society, Vol. 92, Issue 3 https://doi.org/10.1088/0370-1328/92/3/310	journal	November 1967
Electron impact single ionization and dissociative excitation of H ₃ O ⁺ , HD ₂ O ⁺ and D ₃ O ⁺ Bahati, E. M.; Jureta, J. J.; Cherkani-Hassani, H. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 10 https://doi.org/10.1088/0953-4075/34/10/104	journal	May 2001
Electron impact dissociation and ionization of N ₂ ⁺ Bahati, E. M.; Jureta, J. J.; Belic, D. S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 15 https://doi.org/10.1088/0953-4075/34/15/303	journal	July 2001
Electron impact ionization and dissociation of CO ₂ ⁺ to C ⁺ and O ⁺ Bahati, E. M.; Jureta, J. J.; Belic, D. S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 9 https://doi.org/10.1088/0953-4075/34/9/312	journal	April 2001
Total cross sections and kinetic energy release for the electron impact dissociation of H ⁺ ₂ and D ⁺ ₂ Ghazaly, M. O. Abdellahi El; Jureta, J.; Urbain, X. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 37, Issue 12 https://doi.org/10.1088/0953-4075/37/12/003	journal	May 2004
A crossed-beam experiment for electron impact ionization and dissociation of molecular ions: its application to CO ⁺ Lecointre, J.; Belic, D. S.; Cherkani-Hassani, H. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 39, Issue 16 https://doi.org/10.1088/0953-4075/39/16/011	journal	August 2006
Absolute cross sections for electron impact ionization and dissociation of O ₂ ⁺ Cherkani-Hassani, H.; Belic, D. S.; Jureta, J. J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 39, Issue 24 https://doi.org/10.1088/0953-4075/39/24/008	journal	November 2006
Absolute cross sections and kinetic energy release for doubly and triply charged fragments produced by electron impact on CO ⁺ Lecointre, J.; Belic, D. S.; Jureta, J. J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 40, Issue 1 https://doi.org/10.1088/0953-4075/40/1/008	journal	December 2006
Absolute cross sections and kinetic energy release distributions for electron impact ionization and dissociation of CD ⁺ Lecointre, J.; Cherkani-Hassani, S.; Belic, D. S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 40, Issue 11 https://doi.org/10.1088/0953-4075/40/11/020	journal	May 2007
Absolute cross sections and kinetic energy release distributions for electron-impact dissociative excitation and ionization of NeD ⁺ Lecointre, J.; Jureta, J. J.; Mitchell, J. B. A. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 41, Issue 4 https://doi.org/10.1088/0953-4075/41/4/045201	journal	February 2008
Absolute cross-sections and kinetic energy release distributions for electron-impact dissociation of D ⁺ ₃ Lecointre, J.; Abdellahi El Ghazaly, M. O.; Jureta, J. J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 42, Issue 7 https://doi.org/10.1088/0953-4075/42/7/075201	journal	March 2009
Electron-impact dissociation and ionization of NH ⁺ : formation of N ⁺ and N ²⁺ Lecointre, J.; Jureta, J. J.; Defrance, P. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 10 https://doi.org/10.1088/0953-4075/43/10/105202	journal	April 2010
Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method Zammit, Mark C.; Fursa, Dmitry V.; Savage, Jeremy S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 50, Issue 12 https://doi.org/10.1088/1361-6455/aa6e74	journal	May 2017
Near-threshold electron impact dissociation of H ₂ within the adiabatic nuclei approximation Stibbe, Darian T.; Tennyson, Jonathan New Journal of Physics, Vol. 1 https://doi.org/10.1088/1367-2630/1/1/002	journal	January 1999
Electron scattering from molecular hydrogen in a spheroidal convergent close-coupling formalism Savage, Jeremy S.; Fursa, Dmitry V.; Zammit, Mark C. Journal of Physics: Conference Series, Vol. 488, Issue 5 https://doi.org/10.1088/1742-6596/488/5/052016	journal	April 2014
Inelastic Scattering of Electrons by the Hydrogen Molecule Ion Peek, James M. Physical Review, Vol. 134, Issue 4A https://doi.org/10.1103/PhysRev.134.A877	journal	May 1964
Electron Impact Dissociation of H 2 + Dunn, Gordon H.; Van Zyl, Bert Physical Review, Vol. 154, Issue 1 https://doi.org/10.1103/PhysRev.154.40	journal	February 1967
Photodissociation of H 2 + and D 2 + : Theory Dunn, Gordon H. Physical Review, Vol. 172, Issue 1 https://doi.org/10.1103/PhysRev.172.1	journal	August 1968
Theory of electron- H 2 + dissociative collisions Peek, James M. Physical Review A, Vol. 10, Issue 2 https://doi.org/10.1103/PhysRevA.10.539	journal	August 1974
Photodissociation of H 2 + and D 2 + : Experiment von Busch, Friedrich; Dunn, Gordon H. Physical Review A, Vol. 5, Issue 4 https://doi.org/10.1103/PhysRevA.5.1726	journal	April 1972
Measurement of the vibrational populations of molecular ions and its application to dissociative recombination in storage rings Zajfman, D.; Amitay, Z. Physical Review A, Vol. 52, Issue 1 https://doi.org/10.1103/PhysRevA.52.839	journal	July 1995
Analytic Born completion in the calculation of electron-molecule differential cross sections Isaacs, William A.; Morrison, Michael A. Physical Review A, Vol. 53, Issue 6 https://doi.org/10.1103/PhysRevA.53.4215	journal	June 1996
Calculations of electron scattering from H 2 + Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor Physical Review A, Vol. 88, Issue 6 https://doi.org/10.1103/PhysRevA.88.062709	journal	December 2013
Electron scattering from the molecular hydrogen ion and its isotopologues Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor Physical Review A, Vol. 90, Issue 2 https://doi.org/10.1103/PhysRevA.90.022711	journal	August 2014
Adiabatic-nuclei calculations of positron scattering from molecular hydrogen Zammit, Mark C.; Fursa, Dmitry V.; Savage, Jeremy S. Physical Review A, Vol. 95, Issue 2 https://doi.org/10.1103/PhysRevA.95.022707	journal	February 2017
Electron-impact excitation of molecular hydrogen Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V. Physical Review A, Vol. 95, Issue 2 https://doi.org/10.1103/PhysRevA.95.022708	journal	February 2017
Spatial Imaging of the H 2 + Vibrational Wave Function at the Quantum Limit Schmidt, L. Ph. H.; Jahnke, T.; Czasch, A. Physical Review Letters, Vol. 108, Issue 7 https://doi.org/10.1103/PhysRevLett.108.073202	journal	February 2012
Dissociation of H 2 + by Electron Impact Dunn, Gordon H.; Van Zyl, Bert; Zare, Richard N. Physical Review Letters, Vol. 15, Issue 15 https://doi.org/10.1103/PhysRevLett.15.610	journal	October 1965
The theory of electron-molecule collisions Lane, N. F. Reviews of Modern Physics, Vol. 52, Issue 1 https://doi.org/10.1103/RevModPhys.52.29	journal	January 1980
Dissociative Recombination of HD+ in Selected Vibrational Quantum States Amitay, Z. Science, Vol. 281, Issue 5373 https://doi.org/10.1126/science.281.5373.75	journal	July 1998
Low energy electron-driven damage in biomolecules Sanche, L. The European Physical Journal D, Vol. 35, Issue 2 https://doi.org/10.1140/epjd/e2005-00206-6	journal	August 2005

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