Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications
Abstract
In this paper, we used extreme ultraviolet (XUV) transient absorption spectroscopy to study the autoionizing Rydberg states of oxygen in an electronically- and vibrationally-resolved fashion. XUV pulse initiates molecular polarization and near-infrared pulse perturbs its evolution. Transient absorption spectra show positive optical-density (OD) change in the case of $$ns{{\sigma}}_{g}$$ and $$nd{{\pi}}_{g}$$ autoionizing states of oxygen and negative OD change for $$nd{{\sigma}}_{g}$$ states. Multiconfiguration time-dependent Hartree-Fock (MCTDHF) calculations are used to simulate the transient absorption and the resulting spectra and temporal evolution agree with experimental observations. We model the effect of near-infrared perturbation on molecular polarization and find that the laser-induced phase-shift model agrees with the experimental and MCTDHF results, while the laser-induced attenuation model does not. Finally, we relate the electronic-state-symmetry-dependent sign of the OD change to the Fano parameters of the static absorption line shapes.
- Authors:
-
- Univ. of Arizona, Tucson, AZ (United States). College of Optical Sciences. Dept. of Physics
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
- Texas A & M Univ., College Station, TX (United States). Chemistry Dept.
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Univ. of California, Davis, CA (United States). Dept. of Chemistry
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); US Army Research Laboratory (USARL); US Army Research Office (ARO)
- OSTI Identifier:
- 1461978
- Alternate Identifier(s):
- OSTI ID: 1353276
- Grant/Contract Number:
- AC02-05CH11231; SC0012198; W911NF-14-1-0383
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review A
- Additional Journal Information:
- Journal Volume: 95; Journal Issue: 4; Journal ID: ISSN 2469-9926
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS; atomic & molecular processes in external fields; interatomic & molecular potentials; multiphoton or tunneling ionization & excitation; optical transient phenomena; strong-field-induced spectra; ultrashort pulses; molecules; Rydberg atoms & molecules; attosecond laser irradiation; attosecond laser spectroscopy; configuration interaction; dipole approximation; femtosecond laser irradiation; femtosecond laser spectroscopy; femtosecond pump-probe transient absorption; first-principles calculations; Hartree-Fock methods; high-harmonic generation; photoexcitation; Schroedinger equation; ultrafast pump-probe spectroscopy
Citation Formats
Liao, Chen-Ting, Li, Xuan, Haxton, Daniel J., Rescigno, Thomas N., Lucchese, Robert R., McCurdy, C. William, and Sandhu, Arvinder. Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications. United States: N. p., 2017.
Web. doi:10.1103/PhysRevA.95.043427.
Liao, Chen-Ting, Li, Xuan, Haxton, Daniel J., Rescigno, Thomas N., Lucchese, Robert R., McCurdy, C. William, & Sandhu, Arvinder. Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications. United States. https://doi.org/10.1103/PhysRevA.95.043427
Liao, Chen-Ting, Li, Xuan, Haxton, Daniel J., Rescigno, Thomas N., Lucchese, Robert R., McCurdy, C. William, and Sandhu, Arvinder. Wed .
"Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications". United States. https://doi.org/10.1103/PhysRevA.95.043427. https://www.osti.gov/servlets/purl/1461978.
@article{osti_1461978,
title = {Probing autoionizing states of molecular oxygen with XUV transient absorption: Electronic-symmetry-dependent line shapes and laser-induced modifications},
author = {Liao, Chen-Ting and Li, Xuan and Haxton, Daniel J. and Rescigno, Thomas N. and Lucchese, Robert R. and McCurdy, C. William and Sandhu, Arvinder},
abstractNote = {In this paper, we used extreme ultraviolet (XUV) transient absorption spectroscopy to study the autoionizing Rydberg states of oxygen in an electronically- and vibrationally-resolved fashion. XUV pulse initiates molecular polarization and near-infrared pulse perturbs its evolution. Transient absorption spectra show positive optical-density (OD) change in the case of $ns{{\sigma}}_{g}$ and $nd{{\pi}}_{g}$ autoionizing states of oxygen and negative OD change for $nd{{\sigma}}_{g}$ states. Multiconfiguration time-dependent Hartree-Fock (MCTDHF) calculations are used to simulate the transient absorption and the resulting spectra and temporal evolution agree with experimental observations. We model the effect of near-infrared perturbation on molecular polarization and find that the laser-induced phase-shift model agrees with the experimental and MCTDHF results, while the laser-induced attenuation model does not. Finally, we relate the electronic-state-symmetry-dependent sign of the OD change to the Fano parameters of the static absorption line shapes.},
doi = {10.1103/PhysRevA.95.043427},
journal = {Physical Review A},
number = 4,
volume = 95,
place = {United States},
year = {Wed Apr 26 00:00:00 EDT 2017},
month = {Wed Apr 26 00:00:00 EDT 2017}
}
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Works referenced in this record:
Superexcited States of Molecules
journal, September 1962
- Platzman, Robert L.
- Radiation Research, Vol. 17, Issue 3
A study of the absolute photoabsorption, photoionization and photodissociation cross sections and the photoionization quantum efficiency of oxygen from the ionization threshold to 490 Å
journal, June 1993
- Holland, D. M. P.; Shaw, D. A.; McSweeney, S. M.
- Chemical Physics, Vol. 173, Issue 2
Absorption and emission of single attosecond light pulses in an autoionizing gaseous medium dressed by a time-delayed control field
text, January 2012
- Chu, Wei-Chun; Lin, C. D.
- arXiv
Subcycle ac Stark Shift of Helium Excited States Probed with Isolated Attosecond Pulses
journal, August 2012
- Chini, Michael; Zhao, Baozhen; Wang, He
- Physical Review Letters, Vol. 109, Issue 7
Attosecond transient absorption in dense gases: Exploring the interplay between resonant pulse propagation and laser-induced line-shape control
journal, March 2016
- Liao, Chen-Ting; Sandhu, Arvinder; Camp, Seth
- Physical Review A, Vol. 93, Issue 3
Light-induced states in attosecond transient absorption spectra of laser-dressed helium
journal, December 2012
- Chen, Shaohao; Bell, M. Justine; Beck, Annelise R.
- Physical Review A, Vol. 86, Issue 6
Transient absorption and reshaping of ultrafast XUV light by laser-dressed helium
journal, January 2011
- Gaarde, Mette B.; Buth, Christian; Tate, Jennifer L.
- Physical Review A, Vol. 83, Issue 1
Multiplet‐specific multichannel electron‐correlation effects in the photoionization of NO
journal, June 1996
- Stratmann, R. E.; Zurales, Robert W.; Lucchese, Robert R.
- The Journal of Chemical Physics, Vol. 104, Issue 22
Absorption and emission of single attosecond light pulses in an autoionizing gaseous medium dressed by a time-delayed control field
journal, January 2013
- Chu, Wei-Chun; Lin, C. D.
- Physical Review A, Vol. 87, Issue 1
Fano resonances in nanoscale structures
journal, August 2010
- Miroshnichenko, Andrey E.; Flach, Sergej; Kivshar, Yuri S.
- Reviews of Modern Physics, Vol. 82, Issue 3
An angle-resolved dissociative photoionization study of the c 4 Σ − u state in O + 2 using the TPEPICO technique
journal, July 2010
- Padmanabhan, A.; MacDonald, M. A.; Ryan, C. H.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 16
Nuclear-Motion Effects in Attosecond Transient Absorption Spectroscopy of Molecules
text, January 2015
- Bækhøj, Jens E.; Yue, Lun; Madsen, Lars Bojer
- arXiv
Dissociative recombination
journal, August 2006
- Florescumitchell, A.; Mitchell, J.
- Physics Reports, Vol. 430, Issue 5-6
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
journal, January 1989
- Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 90, Issue 2
Investigation of coupling mechanisms in attosecond transient absorption of autoionizing states: comparison of theory and experiment in xenon
journal, May 2015
- Li, Xuan; Bernhardt, Birgitta; Beck, Annelise R.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 12
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992
- Kendall, Rick A.; Dunning, Thom H.; Harrison, Robert J.
- The Journal of Chemical Physics, Vol. 96, Issue 9
Low-energy dissociative recombination in small polyatomic molecules
journal, December 2010
- Jungen, Ch.; Pratt, S. T.
- The Journal of Chemical Physics, Vol. 133, Issue 21
De-excitation dynamics of Rydberg states in O 2 : I. Total cross sections for O I fluorescence emission following predissociation of 2σ -1 u (c 4 Σ - u ) n σ g 3 Σ - u states
journal, February 2002
- Liebel, H.; Ehresmann, A.; Schmoranzer, H.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 35, Issue 4
Attosecond Time-Resolved Autoionization of Argon
journal, October 2010
- Wang, He; Chini, Michael; Chen, Shouyuan
- Physical Review Letters, Vol. 105, Issue 14
What are the basic mechanisms of electronic transitions in molecular dynamic processes?
journal, April 1991
- Nakamura, Hiroki
- International Reviews in Physical Chemistry, Vol. 10, Issue 2
De-excitation dynamics of Rydberg states in O 2 : II. Vibrational and rotational structure of 2σ −1 u ( c 4 Σ − u )( n s/ n d)σ g 3 Σ − u ( v = 0, 1) states
journal, November 2004
- Ehresmann, A.; Werner, L.; Klumpp, S.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 37, Issue 22
Reconstruction and control of a time-dependent two-electron wave packet
journal, December 2014
- Ott, Christian; Kaldun, Andreas; Argenti, Luca
- Nature, Vol. 516, Issue 7531
Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons
journal, March 2000
- Boudaïffa, B.
- Science, Vol. 287, Issue 5458
Soft X-ray-Driven Femtosecond Molecular Dynamics
journal, September 2007
- Gagnon, E.; Ranitovic, P.; Tong, X. -M.
- Science, Vol. 317, Issue 5843
Lorentz meets Fano spectral line shapes: A universal phase and its laser control
text, January 2013
- Ott, Christian; Kaldun, Andreas; Raith, Philipp
- arXiv
Investigation of photoionization and photodissociation of an oxygen molecule by the method of coupled differential equations
journal, March 2007
- Demekhin, Ph. V.; Omel’yanenko, D. V.; Lagutin, B. M.
- Optics and Spectroscopy, Vol. 102, Issue 3
Multiconfiguration time-dependent Hartree-Fock treatment of electronic and nuclear dynamics in diatomic molecules
journal, June 2011
- Haxton, D. J.; Lawler, K. V.; McCurdy, C. W.
- Physical Review A, Vol. 83, Issue 6
Nuclear-motion effects in attosecond transient-absorption spectroscopy of molecules
journal, April 2015
- Bækhøj, Jens E.; Yue, Lun; Madsen, Lars Bojer
- Physical Review A, Vol. 91, Issue 4
Theory of strong-field attosecond transient absorption
journal, February 2016
- Wu, Mengxi; Chen, Shaohao; Camp, Seth
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 6
Time-dependent multiconfiguration theory for ultrafast electronic dynamics of molecules in an intense laser field: Electron correlation and energy redistribution among natural orbitals
journal, December 2009
- Kato, Tsuyoshi; Kono, Hirohiko
- Chemical Physics, Vol. 366, Issue 1-3
Mechanism for the destruction of H3+ ions by electron impact
journal, August 2001
- Kokoouline, V.; Greene, Chris H.; Esry, B. D.
- Nature, Vol. 412, Issue 6850
Beyond the Single-Atom Response in Absorption Line Shapes: Probing a Dense, Laser-Dressed Helium Gas with Attosecond Pulse Trains
journal, April 2015
- Liao, Chen-Ting; Sandhu, Arvinder; Camp, Seth
- Physical Review Letters, Vol. 114, Issue 14
Breaking bonds with electrons: Dissociative recombination of molecular ions
journal, April 2011
- Kokoouline, Viatcheslav; Douguet, Nicolas; Greene, Chris H.
- Chemical Physics Letters, Vol. 507, Issue 1-3
Observation of autoionization dynamics and sub-cycle quantum beating in electronic molecular wave packets
preprint, January 2019
- Reduzzi, M.; Chu, W. -C.; Feng, C.
- arXiv
Neutral photodissociation of O2 Rydberg states accompanied by changes of the Rydberg electron's quantum numbers n and l
journal, March 2000
- Liebel, H.; Lauer, S.; Vollweiler, F.
- Physics Letters A, Vol. 267, Issue 5-6
Competition between autoionization and dissociation in the [O 2 + (B 2 g )] nl and [O 2 + (c 4 u )] nl Rydberg states investigated by photon-induced dissociation to neutral fragments
journal, October 2003
- Hikosaka, Y.; Lablanquie, P.; Ahmad, M.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 36, Issue 21
Time-dependent complete-active-space self-consistent-field method for multielectron dynamics in intense laser fields
journal, August 2013
- Sato, Takeshi; Ishikawa, Kenichi L.
- Physical Review A, Vol. 88, Issue 2
Selective population of spin-orbit levels in the autoionization of O 2
journal, September 1993
- Cubric, D.; Wills, A. A.; Comer, J.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 26, Issue 18
Time-dependent restricted-active-space self-consistent field theory for laser-driven many-electron dynamics
text, January 2013
- Miyagi, Haruhide; Madsen, Lars Bojer
- arXiv
A graphical unitary group approach to study multiplet specific multichannel electron correlation effects in the photoionization of O 2
journal, June 1995
- Stratmann, R. E.; Lucchese, Robert R.
- The Journal of Chemical Physics, Vol. 102, Issue 21
Interaction of vacuum ultraviolet photons with molecules. Formation and dissociation dynamics of molecular superexcited states
journal, May 1999
- Hatano, Yoshihiko
- Physics Reports, Vol. 313, Issue 3
Observation of autoionization dynamics and sub-cycle quantum beating in electronic molecular wave packets
journal, February 2016
- Reduzzi, M.; Chu, W-C; Feng, C.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 6
Unified view on multiconfigurational time propagation for systems consisting of identical particles
journal, October 2007
- Alon, Ofir E.; Streltsov, Alexej I.; Cederbaum, Lorenz S.
- The Journal of Chemical Physics, Vol. 127, Issue 15
Real-time observation of valence electron motion
journal, August 2010
- Goulielmakis, Eleftherios; Loh, Zhi-Heng; Wirth, Adrian
- Nature, Vol. 466, Issue 7307
Fano resonances in nanoscale structures
text, January 2009
- Miroshnichenko, Andrey E.; Flach, Sergej; Kivshar, Yuri S.
- arXiv
Direct Imaging of Transient Fano Resonances in Using Time-, Energy-, and Angular-Resolved Photoelectron Spectroscopy
journal, April 2016
- Eckstein, Martin; Yang, Chung-Hsin; Frassetto, Fabio
- Physical Review Letters, Vol. 116, Issue 16
Ultrafast decay of superexcited cΣu−4nlσgv=0,1 states of O 2 probed with femtosecond photoelectron spectroscopy
journal, June 2012
- Doughty, Benjamin; Koh, Christine J.; Haber, Louis H.
- The Journal of Chemical Physics, Vol. 136, Issue 21
Attosecond Electron Wave-Packet Interference Observed by Transient Absorption
journal, March 2011
- Holler, M.; Schapper, F.; Gallmann, L.
- Physical Review Letters, Vol. 106, Issue 12
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states
journal, June 2011
- Miranda, R. P.; Fisher, A. J.; Stella, L.
- The Journal of Chemical Physics, Vol. 134, Issue 24
Effects of Configuration Interaction on Intensities and Phase Shifts
journal, December 1961
- Fano, U.
- Physical Review, Vol. 124, Issue 6
Attosecond physics
conference, January 2007
- Kienberger, Reinhard; Krausz, Ferenc
- ICALEO® 2007: 26th International Congress on Laser Materials Processing, Laser Microprocessing and Nanomanufacturing, International Congress on Applications of Lasers & Electro-Optics
Attosecond physics
journal, February 2009
- Krausz, Ferenc; Ivanov, Misha
- Reviews of Modern Physics, Vol. 81, Issue 1
Observing the Creation of Electronic Feshbach Resonances in Soft X-ray-Induced O2 Dissociation
journal, November 2008
- Sandhu, A. S.; Gagnon, E.; Santra, R.
- Science, Vol. 322, Issue 5904
Observation of a Train of Attosecond Pulses from High Harmonic Generation
journal, June 2001
- Paul, P. M.
- Science, Vol. 292, Issue 5522
Assignments of autoionization states of O2
journal, January 1987
- Robert Wu, C. Y.
- Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 37, Issue 1
Probing the Dynamics of Rydberg and Valence States of Molecular Nitrogen with Attosecond Transient Absorption Spectroscopy
journal, February 2016
- Warrick, Erika R.; Cao, Wei; Neumark, Daniel M.
- The Journal of Physical Chemistry A, Vol. 120, Issue 19
The multi-configuration electron-nuclear dynamics method applied to LiH
journal, February 2012
- Ulusoy, Inga S.; Nest, Mathias
- The Journal of Chemical Physics, Vol. 136, Issue 5
Time-dependent complete-active-space self-consistent field method for multielectron dynamics in intense laser fields
text, January 2013
- Sato, Takeshi; Ishikawa, Kenichi L.
- arXiv
Alternating absorption features during attosecond-pulse propagation in a laser-controlled gaseous medium
journal, November 2013
- Pfeiffer, Adrian N.; Bell, M. Justine; Beck, Annelise R.
- Physical Review A, Vol. 88, Issue 5
Phase-Matched Generation of Coherent Soft X-rays
journal, May 1998
- Rundquist, A.
- Science, Vol. 280, Issue 5368
Lorentz Meets Fano in Spectral Line Shapes: A Universal Phase and Its Laser Control
journal, May 2013
- Ott, C.; Kaldun, A.; Raith, P.
- Science, Vol. 340, Issue 6133
Dissociative Recombination of Highly Symmetric Polyatomic Ions
journal, January 2012
- Douguet, Nicolas; Orel, Ann E.; Greene, Chris H.
- Physical Review Letters, Vol. 108, Issue 2
Potential energy curves for N2, NO, O2 and corresponding ions
journal, March 1965
- Gilmore, Forrest R.
- Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 5, Issue 2
High-resolution inner-valence uv photoelectron spectra of the molecule and configuration-interaction calculations of states between 20 and 26 eV
journal, April 1992
- Baltzer, P.; Wannberg, B.; Karlsson, L.
- Physical Review A, Vol. 45, Issue 7
Beyond the single-atom response in absorption lineshapes: Probing a dense, laser-dressed helium gas with attosecond pulse trains
text, January 2015
- Liao, Chen-Ting; Sandhu, Arvinder; Camp, Seth
- arXiv
The generation of O( 1 S ) from the dissociative recombination of O + 2
journal, August 1991
- Guberman, Steven L.; Giusti‐Suzor, Annick
- The Journal of Chemical Physics, Vol. 95, Issue 4
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journal, September 2019
- Yuan, Guanglu; Jiang, Shicheng; Wang, Ziwen
- Structural Dynamics, Vol. 6, Issue 5
Attosecond imaging of molecules using high harmonic spectroscopy
journal, January 2019
- Peng, Peng; Marceau, Claude; Villeneuve, David M.
- Nature Reviews Physics, Vol. 1, Issue 2
Electron-spectral-line profiles of resonances by attosecond XUV or x-ray pulses
journal, November 2017
- Zhang, Song Bin; Xie, Xiao Tao; Wang, Jian Guo
- Physical Review A, Vol. 96, Issue 5