Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Bond rearrangement during Coulomb explosion of water molecules

Journal Article · · Physical Review A
 [1];  [2];  [2];  [3];  [3];  [4];  [2];  [2]
  1. Kansas State Univ., Manhattan, KS (United States); DOE/OSTI
  2. Kansas State Univ., Manhattan, KS (United States)
  3. Augustana Univ., Sioux Falls, SD (United States)
  4. Kansas State Univ., Manhattan, KS (United States); Univ. Nacional Autónoma de Mexico, Morelos (Mexico)
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.
Research Organization:
Kansas State Univ., Manhattan, KS (United States)
Sponsoring Organization:
National Science Foundation; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
FG02-86ER13491
OSTI ID:
1610046
Alternate ID(s):
OSTI ID: 1490138
Journal Information:
Physical Review A, Journal Name: Physical Review A Journal Issue: 1 Vol. 99; ISSN PLRAAN; ISSN 2469-9926
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (57)

Coincidence time-of-flight studies of molecular fragmentation journal May 1992
An experimental method for evaluating the H2 and D2 contamination levels in a HD bottle journal June 1997
Ejection of triatomic hydrogen molecular ion from methanol in intense laser fields journal October 2005
Coincidence momentum imaging of ejection of hydrogen molecular ions from methanol in intense laser fields journal February 2006
Fragmentation dynamics of the methanol dication journal September 2008
Dissociation of methanol by ion-impact: Breakup dynamics, bond rearrangement and kinetic energy release journal September 2008
Phase dependence of OD+, HOD+, and H3+ ions released from the deuterated dication of methanol under ω/2ω laser field irradiation journal April 2015
Structure and dynamics of molecules in high charge states journal February 2004
Bond-Selected Chemistry:  Vibrational State Control of Photodissociation and Bimolecular Reaction journal January 1996
Mechanisms and time-resolved dynamics for trihydrogen cation (H3 +) formation from organic molecules in strong laser fields journal July 2017
Visualization of bond rearrangements in acetylene using near single-cycle laser pulses journal January 2016
Rapid bond rearrangement in core-excited molecular water journal January 2013
Formation of fragment ions (H+, H3+, CH3+) from ethane in intense femtosecond laser fields – from understanding to control journal January 2013
Velocity dependence of electron removal and fragmentation of water molecules caused by fast proton impact
  • Sayler, A. M.
  • The CAARI 2000: Sixteenth international conference on the application of accelerators in research and industry, AIP Conference Proceedings https://doi.org/10.1063/1.1395242
conference January 2001
Bond-Rearrangement In Water Ionized By Fast Ion Impact
  • Sayler, A. M.
  • APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: 17TH International Conference on the Application of Accelerators in Research and Industry, AIP Conference Proceedings https://doi.org/10.1063/1.1619662
conference January 2003
Direct Observation of the Decomposition of Multiply Charged Ions into Singly Charged Fragments journal May 1965
Force Constants of Triatomic Molecules journal October 1945
A Study of the Franck‐Condon Principle journal March 1936
Strong light fields coax intramolecular reactions on femtosecond time scales journal November 2004
Nonadiabatic response of molecules to strong fields of picosecond, femtosecond, and subfemtosecond duration: An experimental study of the methane dication journal May 2006
Efficient ejection of H3+ from hydrocarbon molecules induced by ultrashort intense laser fields journal September 2008
Strong fields induce ultrafast rearrangement of H atoms in H2O journal June 2009
The ejection of triatomic molecular hydrogen ions H3+ produced by the interaction of benzene molecules with ultrafast laser pulses journal October 2009
Metastable decomposition and hydrogen migration of ethane dication produced in an intense femtosecond near-infrared laser field journal February 2011
Unusual mechanism for H 3 + formation from ethane as obtained by femtosecond laser pulse ionization and quantum chemical calculations journal March 2011
Quantum dynamics of proton migration in H 2 O dications: H 2 + formation on ultrafast timescales journal January 2012
Studies of H+, H+2, and H+3 dissociative ionization fragments from methane, ethane, methanol, ethanol, and some deuterated methanols using electron-impact excitation and a time-of-flight method incorporating mass analysis journal January 1979
The lower C 2 v potential energy surfaces of the doublet states of H 2 O + : A computational study journal November 1996
Absolute partial cross sections for electron-impact ionization of H2O and D2O from threshold to 1000 eV journal January 1998
Fragmentation mechanisms for methane induced by 55 eV, 75 eV, and 100 eV electron impact journal March 2014
Femtosecond quantum control of molecular bond formation journal May 2010
The Origin of the Continuous Spectrum of the Hydrogen Molecule journal November 1928
Controlling bond cleavage and probing intramolecular dynamics via photodissociation of rovibrationally excited molecules journal October 2001
Electron-ion coincidence measurements of CH 4 journal December 1975
The double photoionisation of NH 3 using the triple coincidence (PEPIPICO) technique journal January 1989
Ionization and excitation of hydrogen molecules by fast proton impact journal January 1996
Ejection dynamics of hydrogen molecular ions from methanol in intense laser fields journal June 2006
Rapid formation of H + 3 from ammonia and methane following 4 MeV proton impact journal April 2009
Hydrogen migration within a water molecule: formation of HD + upon irradiation of HOD with intense, ultrashort laser pulses journal July 2017
Rapid bond rearrangement in molecules after core-electron excitation journal April 2014
Nuclear Motions Associated with Electron Transitions in Diatomic Molecules journal December 1928
Note on an Approximation Treatment for Many-Electron Systems journal October 1934
Inclusive and exclusive cross sections for multiple ionization by fast, highly charged ions in the independent-electron approximation journal May 1988
Multiple-electron removal and molecular fragmentation of CO by fast F 4 + impact journal April 1993
Fragmentation of CH 4 caused by fast-proton impact journal May 1993
Kinetic-energy release in CO dissociation caused by fast F 4 + impact journal January 1995
Multiple-electron ionization, capture, and loss by 19-MeV F q + ( q =2–9) in collisions with Ne and Ar journal December 1995
Resonant photofragmentation of water at the oxygen K edge by high-resolution ion-yield spectroscopy journal January 1999
Asymmetric branching ratio for the dissociation of HD + ( 1 s σ ) journal November 2000
H 2 + formation from H 2 O + mediated by the core-excitation-induced nuclear motion in H 2 O journal March 2001
Correlation between multiple ionization and fragmentation of C 2 H 6 in charge-changing collisions with 580 − keV C + journal December 2014
Coherent Control of Bond Making journal June 2015
Symmetry Breakdown in Ground State Dissociation of HD + journal July 2000
Charge Transfer and Elastic Scattering in Very Slow H + + D ( 1 s ) Half Collisions journal May 2001
Formation of H 3 + due to Intramolecular Bond Rearrangement in Doubly Charged Methanol journal November 2006
Selective Bond Dissociation and Rearrangement with Optimally Tailored, Strong-Field Laser Pulses journal March 2001
Strong optical fields induce ultrafast rearrangement of H-atoms in ethanol molecules journal July 2009

Cited By (1)

Strong-field-induced bond rearrangement in triatomic molecules journal May 2019

Figures / Tables (5)


Similar Records

Strong-field-induced bond rearrangement in triatomic molecules
Journal Article · Tue May 14 20:00:00 EDT 2019 · Physical Review A · OSTI ID:1610700

Bond Rearrangement Following Collisions Between Fast Ions and Ammonia or Methane
Journal Article · Tue Mar 10 00:00:00 EDT 2009 · AIP Conference Proceedings · OSTI ID:21289507

A study of the metastable dissociations of formate esters: A McLafferty rearrangement to a distonic radical cation
Journal Article · Wed Feb 21 23:00:00 EST 1990 · Journal of Physical Chemistry; (USA) · OSTI ID:6712592