Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics

Gonçalves, Cayo E.  M.; Levine, R. D.; Remacle, F.

doi:10.1039/d1cp01029h

Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics

Journal Article · 01 January 2021 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/d1cp01029h· OSTI ID:1851723

Gonçalves, Cayo E. M. ^[1]; Levine, R. D. ^[2]; ^[3]

Theoretical Physical Chemistry; University of Liège; 4000 Liège; Belgium
The Fritz Haber Research Center for Molecular Dynamics; The Hebrew University of Jerusalem; 91904 Jerusalem; Israel
Theoretical Physical Chemistry; University of Liège; 4000 Liège; Belgium; The Fritz Haber Research Center for Molecular Dynamics

The ultrafast entangled electronic–nuclear dynamics induced by electronic coherences leads to a structural rearrangement of the methane cation and exhibits a strong isotope effect.

Research Organization:: Wayne State Univ., Detroit, MI (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0012628

OSTI ID:: 1851723

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 23, Issue 21; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (31)

Attosecond Electron Dynamics in Molecules Nisoli, Mauro; Decleva, Piero; Calegari, Francesca Chemical Reviews, Vol. 117, Issue 16 https://doi.org/10.1021/acs.chemrev.6b00453	journal	May 2017
Electron correlation driven non-adiabatic relaxation in molecules excited by an ultrashort extreme ultraviolet pulse Marciniak, A.; Despré, V.; Loriot, V. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-08131-8	journal	January 2019
Coherent Control of Internal Conversion in Strong-Field Molecular Ionization Kaufman, Brian; Rozgonyi, Tamás; Marquetand, Philipp Physical Review Letters, Vol. 125, Issue 5 https://doi.org/10.1103/PhysRevLett.125.053202	journal	July 2020
Coherent electronic-vibrational dynamics in deuterium bromide probed via attosecond transient-absorption spectroscopy Kobayashi, Yuki; Chang, Kristina F.; Poullain, Sonia Marggi Physical Review A, Vol. 101, Issue 6 https://doi.org/10.1103/PhysRevA.101.063414	journal	June 2020
An electronic time scale in chemistry Remacle, F.; Levine, R. D. Proceedings of the National Academy of Sciences, Vol. 103, Issue 18 https://doi.org/10.1073/pnas.0601855103	journal	April 2006
Laser Steered Ultrafast Quantum Dynamics of Electrons in LiH Remacle, F.; Nest, M.; Levine, R. D. Physical Review Letters, Vol. 99, Issue 18 https://doi.org/10.1103/PhysRevLett.99.183902	journal	November 2007
Ultrafast Predissociation Mechanism of the ¹ Π _u States of ¹⁴ N ₂ and Its Isotopomers upon Attosecond Excitation from the Ground State Muskatel, B. H.; Remacle, F.; Levine, R. D. The Journal of Physical Chemistry A, Vol. 116, Issue 46 https://doi.org/10.1021/jp305354h	journal	August 2012
Probing Proton Dynamics in Molecules on an Attosecond Time Scale Baker, S.; Robinson, J. S.; Haworth, C. A. Science, Vol. 312, Issue 5772 https://doi.org/10.1126/science.1123904	journal	March 2006
Dynamic imaging of molecules using high order harmonic generation Marangos, Jon P.; Baker, Sarah; Kajumba, Nathaniel Phys. Chem. Chem. Phys., Vol. 10, Issue 1 https://doi.org/10.1039/B714126M	journal	January 2008
Attosecond Probing of Vibrational Dynamics with High-Harmonic Generation Lein, Manfred Physical Review Letters, Vol. 94, Issue 5 https://doi.org/10.1103/PhysRevLett.94.053004	journal	February 2005
Potential energy surfaces of CH ⁺ ₄ Frey, Regina F.; Davidson, Ernest R. The Journal of Chemical Physics, Vol. 88, Issue 3 https://doi.org/10.1063/1.454101	journal	February 1988
Structural evolution of the methane cation in subfemtosecond photodynamics Mondal, T.; Varandas, A. J. C. The Journal of Chemical Physics, Vol. 143, Issue 1 https://doi.org/10.1063/1.4922906	journal	July 2015
On Extracting Subfemtosecond Data from Femtosecond Quantum Dynamics Calculations: The Methane Cation Mondal, T.; Varandas, A. J. C. Journal of Chemical Theory and Computation, Vol. 10, Issue 9 https://doi.org/10.1021/ct500388k	journal	August 2014
The Jahn-Teller effect in the triply degenerate electronic state of methane radical cation Mondal, T.; Varandas, A. J. C. The Journal of Chemical Physics, Vol. 135, Issue 17 https://doi.org/10.1063/1.3658641	journal	November 2011
Nuclear Dynamics in Polyatomic Molecules and High-Order Harmonic Generation Patchkovskii, Serguei Physical Review Letters, Vol. 102, Issue 25 https://doi.org/10.1103/PhysRevLett.102.253602	journal	June 2009
High-order harmonic generation from polyatomic molecules including nuclear motion and a nuclear modes analysis Madsen, C. B.; Abu-samha, M.; Madsen, L. B. Physical Review A, Vol. 81, Issue 4 https://doi.org/10.1103/PhysRevA.81.043413	journal	April 2010
Highly Efficient Charge Transfer in Peptide Cations in the Gas Phase: Threshold Effects and Mechanism Weinkauf, R.; Schanen, P.; Metsala, A. The Journal of Physical Chemistry, Vol. 100, Issue 47 https://doi.org/10.1021/jp960926m	journal	January 1996
Electronic Control of Site Selective Reactivity: A Model Combining Charge Migration and Dissociation Remacle, F.; Levine, R. D.; Schlag, E. W. The Journal of Physical Chemistry A, Vol. 103, Issue 49 https://doi.org/10.1021/jp991853k	journal	December 1999
Ultrafast charge migration by electron correlation Cederbaum, L. S.; Zobeley, J. Chemical Physics Letters, Vol. 307, Issue 3-4 https://doi.org/10.1016/S0009-2614(99)00508-4	journal	July 1999
Pump and Probe of Ultrafast Charge Reorganization in Small Peptides: A Computational Study through Sudden Ionizations Kuś, T.; Mignolet, B.; Levine, R. D. The Journal of Physical Chemistry A, Vol. 117, Issue 40 https://doi.org/10.1021/jp407295t	journal	September 2013
Localized electron dynamics in attosecond-pulse-excited molecular systems: Probing the time-dependent electron density by sudden photoionization Mignolet, B.; Levine, R. D.; Remacle, F. Physical Review A, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevA.86.053429	journal	November 2012
Ultrafast electron dynamics in phenylalanine initiated by attosecond pulses Calegari, F.; Ayuso, D.; Trabattoni, A. Science, Vol. 346, Issue 6207 https://doi.org/10.1126/science.1254061	journal	October 2014
Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N ₂ Ajay, Jayanth S.; Komarova, Ksenia G.; Remacle, Francoise Proceedings of the National Academy of Sciences, Vol. 115, Issue 23 https://doi.org/10.1073/pnas.1804455115	journal	May 2018
Time resolved mechanism of the isotope selectivity in the ultrafast light induced dissociation in N ₂ Komarova, Ksenia G.; Remacle, Francoise; Levine, R. D. The Journal of Chemical Physics, Vol. 151, Issue 11 https://doi.org/10.1063/1.5118990	journal	September 2019
Correlated electron–nuclear motion during non-adiabatic transitions in LiH and its isotopomers Komarova, Ksenia G.; van den Wildenberg, Stephan; Remacle, Françoise Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 53, Issue 13 https://doi.org/10.1088/1361-6455/ab84c7	journal	June 2020
Attosecond science based on high harmonic generation from gases and solids Li, Jie; Lu, Jian; Chew, Andrew Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16480-6	journal	June 2020
Extracting sub-cycle electronic and nuclear dynamics from high harmonic spectra Austin, Dane R.; Johnson, Allan S.; McGrath, Felicity Scientific Reports, Vol. 11, Issue 1 https://doi.org/10.1038/s41598-021-82232-1	journal	January 2021
Disentangling Strong-Field Multielectron Dynamics with Angular Streaking Winney, Alexander H.; Basnayake, Gihan; Debrah, Duke A. The Journal of Physical Chemistry Letters, Vol. 9, Issue 10 https://doi.org/10.1021/acs.jpclett.8b00028	journal	April 2018
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
Disentangling conical intersection and coherent molecular dynamics in methyl bromide with attosecond transient absorption spectroscopy Timmers, Henry; Zhu, Xiaolei; Li, Zheng Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10789-7	journal	July 2019
Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge Zinchenko, Kristina S.; Ardana-Lamas, Fernando; Seidu, Issaka Science, Vol. 371, Issue 6528 https://doi.org/10.1126/science.abf1656	journal	January 2021

Similar Records

Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule

Journal Article · 2019 · Journal of Chemical Physics · OSTI ID:1569500

van den Wildenberg, Stephan; Mignolet, Benoit; Levine, R. D.; +1 more

Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N₂

Journal Article · 2018 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1438082

Ajay, Jayanth S.; Komarova, Ksenia G.; Remacle, Francoise; +1 more

Related Subjects

Chemistry
Physics

Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics

Citation Formats

References (31)

Similar Records

Related Subjects