Step-by-step state-selective tracking of fragmentation dynamics of water dications by momentum imaging

Severt, Travis; Streeter, Zachary L.; Iskandar, Wael; Larsen, Kirk A.; Gatton, Averell; Trabert, Daniel; Jochim, Bethany; Griffin, Brandon; Champenois, Elio G.; Brister, Matthew M.; Reedy, Dylan; Call, Demitri; Strom, Richard; Landers, Allen L.; Dörner, Reinhard; Williams, Joshua B.; Slaughter, Daniel S.; Lucchese, Robert R.; Weber, Thorsten; McCurdy, C. William; Ben-Itzhak, Itzik

doi:10.1038/s41467-022-32836-6

Title: Step-by-step state-selective tracking of fragmentation dynamics of water dications by momentum imaging

Journal Article · Thu Sep 01 00:00:00 EDT 2022 · Nature Communications

DOI:https://doi.org/10.1038/s41467-022-32836-6· OSTI ID:1885176

Severt, Travis; Streeter, Zachary L.; Iskandar, Wael; Larsen, Kirk A.; Gatton, Averell;

; Jochim, Bethany;

; Champenois, Elio G.; Brister, Matthew M.; Reedy, Dylan; Call, Demitri; Strom, Richard; Landers, Allen L.;

; Williams, Joshua B.;

;

; McCurdy, C. William more »

Abstract The double photoionization of a molecule by one photon ejects two electrons and typically creates an unstable dication. Observing the subsequent fragmentation products in coincidence can reveal a surprisingly detailed picture of the dynamics. Determining the time evolution and quantum mechanical states involved leads to deeper understanding of molecular dynamics. Here in a combined experimental and theoretical study, we unambiguously separate the sequential breakup via D ⁺ + OD ⁺ intermediates, from other processes leading to the same D ⁺ + D ⁺ + O final products of double ionization of water by a single photon. Moreover, we experimentally identify, separate, and follow step by step, two pathways involving the b ¹ Σ ⁺ and a ¹ Δ electronic states of the intermediate OD ⁺ ion. Our classical trajectory calculations on the relevant potential energy surfaces reproduce well the measured data and, combined with the experiment, enable the determination of the internal energy and angular momentum distribution of the OD ⁺ intermediate.

View Journal Article

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS)

Grant/Contract Number:: AC02-05CH11231; FG02-86ER13491; SC0014664

OSTI ID:: 1885176

Alternate ID(s):: OSTI ID: 1887205

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 13 Journal Issue: 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (31)

The H2O2+ potential energy surfaces dissociating into H+/OH+: Theoretical analysis of the isotopic effect Gervais, B.; Giglio, E.; Adoui, L. The Journal of Chemical Physics, Vol. 131, Issue 2 https://doi.org/10.1063/1.3157164	journal	July 2009
Fragmentation dynamics of carbonyl sulfide in collision with 500 eV electron Shen, Zhenjie; Wang, Enliang; Gong, Maomao The Journal of Chemical Physics, Vol. 145, Issue 23 https://doi.org/10.1063/1.4972064	journal	December 2016
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
Transient absorption spectroscopy using high harmonic generation: a review of ultrafast X-ray dynamics in molecules and solids Geneaux, Romain; Marroux, Hugo J. B.; Guggenmos, Alexander Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145 https://doi.org/10.1098/rsta.2017.0463	journal	April 2019
Photoelectron and fragmentation dynamics of the $H^{+} + H^{+}$ dissociative channel in ${NH}_{3}$ following direct single-photon double ionization Larsen, Kirk A.; Rescigno, Thomas N.; Severt, Travis Physical Review Research, Vol. 2, Issue 4 https://doi.org/10.1103/PhysRevResearch.2.043056	journal	October 2020
Molpro: a general-purpose quantum chemistry program package: Molpro Werner, Hans-Joachim; Knowles, Peter J.; Knizia, Gerald Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 2 https://doi.org/10.1002/wcms.82	journal	July 2011
Cold Target Recoil Ion Momentum Spectroscopy: a ‘momentum microscope’ to view atomic collision dynamics Dörner, R.; Mergel, V.; Jagutzki, O. Physics Reports, Vol. 330, Issue 2-3 https://doi.org/10.1016/S0370-1573(99)00109-X	journal	June 2000
Nonadiabatic Coupling Effects in the 800 nm Strong-Field Ionization-Induced Coulomb Explosion of Methyl Iodide Revealed by Multimass Velocity Map Imaging and Ab Initio Simulation Studies Crane, Stuart W.; Ge, Lingfeng; Cooper, Graham A. The Journal of Physical Chemistry A, Vol. 125, Issue 44 https://doi.org/10.1021/acs.jpca.1c06346	journal	October 2021
Capturing roaming molecular fragments in real time Endo, Tomoyuki; Neville, Simon P.; Wanie, Vincent Science, Vol. 370, Issue 6520 https://doi.org/10.1126/science.abc2960	journal	November 2020
Dissociation dynamics of the water dication following one-photon double ionization. II. Experiment Reedy, D.; Williams, J. B.; Gaire, B. Physical Review A, Vol. 98, Issue 5 https://doi.org/10.1103/PhysRevA.98.053430	journal	November 2018
Classical trajectory approach to photodissociation: The Wigner method Brown, Robert C.; Heller, Eric J. The Journal of Chemical Physics, Vol. 75, Issue 1 https://doi.org/10.1063/1.441822	journal	July 1981
Coulomb Explosion Imaging for the Visualization of a Conical Intersection Corrales, M. E.; González-Vázquez, J.; de Nalda, R. The Journal of Physical Chemistry Letters, Vol. 10, Issue 2 https://doi.org/10.1021/acs.jpclett.8b03726	journal	December 2018
Coulomb explosion imaging of CH ₃ I and CH ₂ ClI photodissociation dynamics Allum, Felix; Burt, Michael; Amini, Kasra The Journal of Chemical Physics, Vol. 149, Issue 20 https://doi.org/10.1063/1.5041381	journal	November 2018
Sequential three-body Coulomb explosion of CS2 in intense laser fields appearing in momentum correlation map Hishikawa, Akiyoshi; Hasegawa, Hirokazu; Yamanouchi, Kaoru Chemical Physics Letters, Vol. 361, Issue 3-4 https://doi.org/10.1016/S0009-2614(02)00880-1	journal	July 2002
Fragmentation Dynamics of ${CO}_{2}^{3 +}$ Investigated by Multiple Electron Capture in Collisions with Slow Highly Charged Ions Neumann, N.; Hant, D.; Schmidt, L. Ph. H. Physical Review Letters, Vol. 104, Issue 10 https://doi.org/10.1103/PhysRevLett.104.103201	journal	March 2010
Native Frames: Disentangling Sequential from Concerted Three-Body Fragmentation Rajput, Jyoti; Severt, T.; Berry, Ben Physical Review Letters, Vol. 120, Issue 10 https://doi.org/10.1103/PhysRevLett.120.103001	journal	March 2018
Test of the Wigner method for the photodissociation of symmetric triatomic molecules Henriksen, N. E.; Engel, V.; Schinke, R. The Journal of Chemical Physics, Vol. 86, Issue 12 https://doi.org/10.1063/1.452385	journal	June 1987
Coulomb imaging of the concerted and stepwise break up processes of OCS ions in intense femtosecond laser radiation Wales, Benji; Bisson, Éric; Karimi, Reza Journal of Electron Spectroscopy and Related Phenomena, Vol. 195 https://doi.org/10.1016/j.elspec.2014.05.003	journal	August 2014
On the limits of observing motion in time-resolved X-ray scattering Ware, Matthew R.; Glownia, James M.; Natan, Adi Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145 https://doi.org/10.1098/rsta.2017.0477	journal	April 2019
Recoil-ion and electron momentum spectroscopy: reaction-microscopes Ullrich, J.; Moshammer, R.; Dorn, A. Reports on Progress in Physics, Vol. 66, Issue 9 https://doi.org/10.1088/0034-4885/66/9/203	journal	August 2003
The measurement of ultrafast electronic and structural dynamics with X-rays Marangos, J. P. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145 https://doi.org/10.1098/rsta.2017.0481	journal	April 2019
Recoil-ion momentum spectroscopy Ullrich, J.; Moshammer, R.; Dörner, R. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 30, Issue 13 https://doi.org/10.1088/0953-4075/30/13/006	journal	July 1997
Ultrafast Dissociation of Metastable ${CO}^{2 +}$ in a Dimer Ding, Xiaoyan; Haertelt, M.; Schlauderer, S. Physical Review Letters, Vol. 118, Issue 15 https://doi.org/10.1103/PhysRevLett.118.153001	journal	April 2017
Dissociation dynamics of the water dication following one-photon double ionization. I. Theory Streeter, Zachary L.; Yip, Frank L.; Lucchese, Robert R. Physical Review A, Vol. 98, Issue 5 https://doi.org/10.1103/PhysRevA.98.053429	journal	November 2018
Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene Ablikim, Utuq; Bomme, Cédric; Savelyev, Evgeny Physical Chemistry Chemical Physics, Vol. 19, Issue 21 https://doi.org/10.1039/C7CP01379E	journal	January 2017
Semiclassical Wigner theory of photodissociation in three dimensions: Shedding light on its basis Arbelo-González, W.; Bonnet, L.; García-Vela, A. The Journal of Chemical Physics, Vol. 142, Issue 13 https://doi.org/10.1063/1.4916646	journal	April 2015
Coulomb Explosion Dynamics of Chlorocarbonylsulfenyl Chloride Cooper, Graham A.; Alavi, S. Tahereh; Li, Wen The Journal of Physical Chemistry A, Vol. 125, Issue 25 https://doi.org/10.1021/acs.jpca.1c02332	journal	June 2021
Nonsequential and Sequential Fragmentation of ${CO}_{2}^{3 +}$ in Intense Laser Fields Wu, Cong; Wu, Chengyin; Song, Di Physical Review Letters, Vol. 110, Issue 10 https://doi.org/10.1103/PhysRevLett.110.103601	journal	March 2013
Spin-forbidden transitions in the presence of an intersystem crossing: application to the b1Σ+ state in OH+ de Vivie, Regina; Marian, Christel M.; Peyerimhoff, Sigrid D. Chemical Physics, Vol. 112, Issue 3 https://doi.org/10.1016/0301-0104(87)85103-0	journal	March 1987
The Role of Excited-State Topology in Three-Body Dissociation of sym-Triazine Savee, J. D.; Mozhayskiy, V. A.; Mann, J. E. Science, Vol. 321, Issue 5890 https://doi.org/10.1126/science.1157617	journal	August 2008
Selecting core-hole localization or delocalization in CS2 by photofragmentation dynamics Guillemin, R.; Decleva, P.; Stener, M. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7166	journal	January 2015

Similar Records

Efficiency of charge transfer in changing the dissociation dynamics of OD⁺ transients formed after the photo-fragmentation of D₂O

Journal Article · Tue Sep 05 00:00:00 EDT 2023 · Journal of Chemical Physics · OSTI ID:1885176

Iskandar, W.; Rescigno, T. N.; Orel, A. E.; +13 more

Mechanisms and dynamics of the NH⁺₂ + H⁺ and NH⁺ + H⁺ + H fragmentation channels upon single-photon double ionization of NH₃

Journal Article · Thu Nov 19 00:00:00 EST 2020 · Journal of Physics. B, Atomic, Molecular and Optical Physics · OSTI ID:1885176

Larsen, Kirk A.; Rescigno, Thomas N.; Streeter, Zachary L.; +18 more

Dissociation dynamics of the water dication following one-photon double ionization. I. Theory

Journal Article · Mon Nov 26 00:00:00 EST 2018 · Physical Review A · OSTI ID:1885176

Streeter, Zachary L.; Yip, Frank L.; Lucchese, Robert R.; +3 more

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
Atomic and molecular interactions with photons
Reaction kinetics and dynamics

Title: Step-by-step state-selective tracking of fragmentation dynamics of water dications by momentum imaging

Citation Formats

References (31)

Similar Records

Related Subjects