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Title: Bond rearrangement during Coulomb explosion of water molecules

Abstract

Bond rearrangement, namely the dissociation of water ions into H2+ + (q – 1)+ (q = 1–4) following fast ion-impact ionization, unexpectedly occurs following multiple ionization of water in spite of the presumably fast “Coulomb explosion” of the transient molecular ion. Furthermore, the branching ratio of bond rearrangement is found to be nearly equal for each level of ionization, q. In addition, formation of H2+ is more than twice as likely to occur from the lighter water isotopologue H2O+ than D2+ from D2O+. Furthermore, these findings are consistent with the ground state dissociation mechanism in which a fast projection of the ground state nuclear wave function onto the vibrational continuum of the cation potential energy surface is sometimes followed by H2+ formation.

Authors:
 [1];  [1];  [1];  [2];  [2];  [3];  [1];  [1]
+ Show Author Affiliations
  1. Kansas State Univ., Manhattan, KS (United States)
  2. Augustana Univ., Sioux Falls, SD (United States)
  3. Kansas State Univ., Manhattan, KS (United States); Univ. Nacional Autónoma de Mexico, Morelos (Mexico)
Publication Date:
Research Org.:
Kansas State Univ., Manhattan, KS (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)
OSTI Identifier:
1610046
Alternate Identifier(s):
OSTI ID: 1490138
Grant/Contract Number:  
FG02-86ER13491; 1723002
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review A
Additional Journal Information:
Journal Volume: 99; Journal Issue: 1; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; optics; physics; atomic & molecular collisions; scattering of atoms; molecules; clusters & ions

Citation Formats

Leonard, M., Sayler, A. M., Carnes, K. D., Kaufman, Emily M., Wells, E., Cabrera-Trujillo, R., Esry, B. D., and Ben-Itzhak, I. Bond rearrangement during Coulomb explosion of water molecules. United States: N. p., 2019. Web. doi:10.1103/physreva.99.012704.
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Leonard, M., Sayler, A. M., Carnes, K. D., Kaufman, Emily M., Wells, E., Cabrera-Trujillo, R., Esry, B. D., & Ben-Itzhak, I. Bond rearrangement during Coulomb explosion of water molecules. United States. https://doi.org/10.1103/physreva.99.012704
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Leonard, M., Sayler, A. M., Carnes, K. D., Kaufman, Emily M., Wells, E., Cabrera-Trujillo, R., Esry, B. D., and Ben-Itzhak, I. Wed . "Bond rearrangement during Coulomb explosion of water molecules". United States. https://doi.org/10.1103/physreva.99.012704. https://www.osti.gov/servlets/purl/1610046.
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@article{osti_1610046,
title = {Bond rearrangement during Coulomb explosion of water molecules},
author = {Leonard, M. and Sayler, A. M. and Carnes, K. D. and Kaufman, Emily M. and Wells, E. and Cabrera-Trujillo, R. and Esry, B. D. and Ben-Itzhak, I.},
abstractNote = {Bond rearrangement, namely the dissociation of water ions into H2+ + (q – 1)+ (q = 1–4) following fast ion-impact ionization, unexpectedly occurs following multiple ionization of water in spite of the presumably fast “Coulomb explosion” of the transient molecular ion. Furthermore, the branching ratio of bond rearrangement is found to be nearly equal for each level of ionization, q. In addition, formation of H2+ is more than twice as likely to occur from the lighter water isotopologue H2O+ than D2+ from D2O+. Furthermore, these findings are consistent with the ground state dissociation mechanism in which a fast projection of the ground state nuclear wave function onto the vibrational continuum of the cation potential energy surface is sometimes followed by H2+ formation.},
doi = {10.1103/physreva.99.012704},
journal = {Physical Review A},
number = 1,
volume = 99,
place = {United States},
year = {Wed Jan 09 00:00:00 EST 2019},
month = {Wed Jan 09 00:00:00 EST 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1103/physreva.99.012704
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Cited by: 5 works
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Figures / Tables:

FIG. 1 FIG. 1: The yield of H$^{+}_{2}$ relative to H2O + (and isotopologues) as a function of the projectile velocity. Proton impact – open symbols, 1MeV/amu F9+ impact – half-full (magenta) symbol, and electron-impact data (from Ref. [10]) – full symbols (see text). The error bars are at a 1σ level.
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    Strong-field-induced bond rearrangement in triatomic molecules
    journal, May 2019

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