Resonance signatures in the body-frame valence photoionization of CF4

Larsen, K. A.; Trevisan, C. S.; Lucchese, R. R.; Heck, S.; Iskandar, W.; Champenois, E.; Gatton, A.; Moshammer, R.; Strom, R.; Severt, T.; Jochim, B.; Reedy, D.; Weller, M.; Landers, A. L.; Williams, J. B.; Ben-Itzhak, I.; Dörner, R.; Slaughter, D.; McCurdy, C. W.; Weber, Th.; Rescigno, T. N.

doi:10.1039/c8cp03637c

Title: Resonance signatures in the body-frame valence photoionization of CF₄

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/c8cp03637c· OSTI ID:1464171

Larsen, K. A. ^[1]; Trevisan, C. S. ^[2]; Lucchese, R. R. ^[3]; Heck, S. ^[4];

^[3]; Champenois, E. ^[1]; Gatton, A. ^[5]; Moshammer, R. ^[6]; Strom, R. ^[7]; Severt, T. ^[8]; Jochim, B. ^[8]; Reedy, D. ^[9]; Weller, M. ^[10]; Landers, A. L. ^[7]; Williams, J. B. ^[9]; Ben-Itzhak, I. ^[8]; Dörner, R. ^[10]; Slaughter, D. ^[3]; McCurdy, C. W. ^[11]; Weber, Th. ^[3] more »

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Univ. of California, Berkeley, CA (United States). Graduate Group in Applied Science and Technology
California State Univ. Maritime Academy (CalState), Vallejo, CA (United States). Dept. of Sciences and Mathematics
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Max-Planck-Institut für Kernphysik, Heidelberg (Germany); J.W. Goethe Univ., Frankfurt (Germany).Inst. für Kernphysik
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Auburn Univ., Auburn, AL (United States). Dept. of Physics
Max-Planck-Institut für Kernphysik, Heidelberg (Germany)
Auburn Univ., Auburn, AL (United States). Dept. of Physics
Kansas State Univ., Manhattan, KS (United States).J.R. Macdonald Lab.
Univ. of Nevada, Reno, NV (United States). Dept. of Physics
J.W. Goethe Univ., Frankfurt (Germany).Inst. für Kernphysik
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Univ. of California, Davis, CA (United States). Dept. of Chemistry

Here, we present a combined experimental and theoretical investigation of the electron dynamics and body-frame angular dependence of valence photo-single ionization of CF₄ and subsequent dissociation into CF₃+ and F. Ionization from a valence t₂ orbital shows overlapping shape resonances close to threshold that couple to the same total symmetry, leading to striking changes in the photoelectron angular distributions when viewed in the body-frame.

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

Sponsoring Organization:: SC-22.1 USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; Deutsche Akademische Austausch Dienst (DAAD); USDOE

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

OSTI ID:: 1464171

Alternate ID(s):: OSTI ID: 1462770

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 20, Issue 32; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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References (33)

Single Photon-Induced Symmetry Breaking of H2 Dissociation Martin, F.; Fernandez, J.; Havermeier, T. Science, Vol. 315, Issue 5812 https://doi.org/10.1126/science.1136598	journal	February 2007
Cross section and asymmetry parameter calculation for sulfur 1s photoionization of SF6 Natalense, Alexandra P. P.; Lucchese, Robert R. The Journal of Chemical Physics, Vol. 111, Issue 12 https://doi.org/10.1063/1.479794	journal	September 1999
A Near-Threshold Shape Resonance in the Valence-Shell Photoabsorption of Linear Alkynes Jacovella, U.; Holland, D. M. P.; Boyé-Péronne, S. The Journal of Physical Chemistry A, Vol. 119, Issue 50 https://doi.org/10.1021/acs.jpca.5b06949	journal	October 2015
Ionization of one- and three-dimensionally-oriented asymmetric-top molecules by intense circularly polarized femtosecond laser pulses Hansen, Jonas L.; Holmegaard, Lotte; Kalhøj, Line Physical Review A, Vol. 83, Issue 2 https://doi.org/10.1103/PhysRevA.83.023406	journal	February 2011
Molecular Frame Photoelectron Emission in the Presence of Autoionizing Resonances Lebech, M.; Houver, J. C.; Dowek, D. Physical Review Letters, Vol. 96, Issue 7 https://doi.org/10.1103/PhysRevLett.96.073001	journal	February 2006
Unambiguous observation of F-atom core-hole localization in ${CF}_{4}$ through body-frame photoelectron angular distributions McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S. Physical Review A, Vol. 95, Issue 1 https://doi.org/10.1103/PhysRevA.95.011401	journal	January 2017
Multiple hit readout of a microchannel plate detector with a three-layer delay-line anode Jagutzki, O.; Cerezo, A.; Czasch, A. IEEE Transactions on Nuclear Science, Vol. 49, Issue 5 https://doi.org/10.1109/TNS.2002.803889	journal	October 2002
Threshold photoelectron spectroscopy of CF4 up to 60.5 eV Yencha, A. J.; Hopkirk, A.; Hiraya, A. Journal of Electron Spectroscopy and Related Phenomena, Vol. 70, Issue 1 https://doi.org/10.1016/0368-2048(94)02208-H	journal	November 1994
Photoionization of CF4 in the VUV region Nascimento, E. M.; Machado, L. E.; Brescansin, L. M. Journal of Electron Spectroscopy and Related Phenomena, Vol. 130, Issue 1-3 https://doi.org/10.1016/S0368-2048(03)00090-2	journal	July 2003
Ab initio calculations on the dissociation of the CF4+• radical ion Beärda, R. A.; Mulder, J. J. C. Chemical Physics, Vol. 128, Issue 2-3 https://doi.org/10.1016/0301-0104(88)90015-8	journal	December 1988
Molecular frame photoelectron angular distributions in dissociative photoionization of H ₂ in the region of the Q ₁ and Q ₂ doubly excited states Lafosse, A.; Lebech, M.; Brenot, J. C. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 36, Issue 23 https://doi.org/10.1088/0953-4075/36/23/007	journal	November 2003
Asymmetry in the molecular-frame photoelectron angular distribution for oxygen 1s photoemission from CO ₂ Lucchese, R. R.; Fukuzawa, H.; Liu, X-J Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 19 https://doi.org/10.1088/0953-4075/45/19/194014	journal	September 2012
Photoelectron study of the valence levels of CF ₄ and SiF ₄ from 20 to 100 eV Yates, B. W.; Tan, K. H.; Bancroft, G. M. The Journal of Chemical Physics, Vol. 83, Issue 10 https://doi.org/10.1063/1.449749	journal	November 1985
Calculation of low‐energy elastic cross sections for electron‐CF ₄ scattering Gianturco, F. A.; Lucchese, R. R.; Sanna, N. The Journal of Chemical Physics, Vol. 100, Issue 9 https://doi.org/10.1063/1.467237	journal	May 1994
Symmetry breaking by quantum coherence in single electron attachment Krishnakumar, E.; Prabhudesai, Vaibhav S.; Mason, Nigel J. Nature Physics, Vol. 14, Issue 2 https://doi.org/10.1038/nphys4289	journal	October 2017
Theoretical study of electron-impact excitation of $N_{2}^{+}$ Orel, A. E.; Rescigno, T. N.; Lengsfield III, B. H. Physical Review A, Vol. 42, Issue 9 https://doi.org/10.1103/PhysRevA.42.5292	journal	November 1990
Site-specific fragmentation probabilities deduced from O+–CO+ molecular frame photoelectron angular distributions from CO2 Tsuru, Shota; Kazama, Misato; Fujikawa, Takashi Chemical Physics Letters, Vol. 608 https://doi.org/10.1016/j.cplett.2014.05.086	journal	July 2014
A full dimensional ab initio dynamics study on the ionization processes of CF ₄ Tachikawa, Hiroto Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 33, Issue 12 https://doi.org/10.1088/0953-4075/33/12/317	journal	June 2000
Angle‐resolved photoelectron cross section of CF ₄ Carlson, Thomas A.; Fahlman, Anders; Svensson, W. Agneta The Journal of Chemical Physics, Vol. 81, Issue 9 https://doi.org/10.1063/1.448165	journal	November 1984
Interchannel coupling and ground state correlation effects in the photoionization of CO Rescigno, T. N.; Lengsfield, B. H.; Orel, A. E. The Journal of Chemical Physics, Vol. 99, Issue 7 https://doi.org/10.1063/1.466010	journal	October 1993
Time-resolved photoelectron spectroscopy of wavepackets through a conical intersection in NO2 Arasaki, Yasuki; Takatsuka, Kazuo; Wang, Kwanghsi The Journal of Chemical Physics, Vol. 132, Issue 12 https://doi.org/10.1063/1.3369647	journal	March 2010
Imaging molecular isomerization using molecular-frame photoelectron angular distributions Rescigno, T. N.; Douguet, Nicolas; Orel, A. E. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 19 https://doi.org/10.1088/0953-4075/45/19/194001	journal	September 2012
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
Theoretical study of asymmetric molecular-frame photoelectron angular distributions for $C 1 s$ photoejection from ${CO}_{2}$ Miyabe, S.; McCurdy, C. W.; Orel, A. E. Physical Review A, Vol. 79, Issue 5 https://doi.org/10.1103/PhysRevA.79.053401	journal	May 2009
Dissociation limit and dissociation dynamic of CF ₄ ⁺ : Application of threshold photoelectron-photoion coincidence velocity imaging Tang, Xiaofeng; Zhou, Xiaoguo; Wu, Manman The Journal of Chemical Physics, Vol. 138, Issue 9 https://doi.org/10.1063/1.4792368	journal	March 2013
New results on the dissociative photoionization of CF4 and CCl4 Kinugawa, T.; Hikosaka, Y.; Hodgekins, A. M. Journal of Mass Spectrometry, Vol. 37, Issue 8 https://doi.org/10.1002/jms.345	journal	January 2002
Imaging molecular shapes with molecular-frame photoelectron angular distributions from core hole ionization Trevisan, C. S.; McCurdy, C. W.; Rescigno, T. N. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 45, Issue 19 https://doi.org/10.1088/0953-4075/45/19/194002	journal	September 2012
Shape resonances in the photoionization of CF ₄ Stephens, J. A.; Dill, Dan; Dehmer, J. L. The Journal of Chemical Physics, Vol. 84, Issue 7 https://doi.org/10.1063/1.450202	journal	April 1986
Non-radiative decay of electronically excited CF4+(B̃2E) and CFCl3+ (D̃2E) cations in the gaseous phase Maier, John P.; Thommen, Fritz Chemical Physics Letters, Vol. 78, Issue 1 https://doi.org/10.1016/0009-2614(81)85550-9	journal	February 1981
Imaging Polyatomic Molecules in Three Dimensions Using Molecular Frame Photoelectron Angular Distributions Williams, J. B.; Trevisan, C. S.; Schöffler, M. S. Physical Review Letters, Vol. 108, Issue 23 https://doi.org/10.1103/PhysRevLett.108.233002	journal	June 2012
Time-resolved imaging of purely valence-electron dynamics during a chemical reaction Hockett, Paul; Bisgaard, Christer Z.; Clarkin, Owen J. Nature Physics, Vol. 7, Issue 8 https://doi.org/10.1038/nphys1980	journal	April 2011
Fragmentation of valence electronic states of CF+4 and SF+6 studied by threshold photoelectron-photoion coincidence spectroscopy Creasey, J. C.; Jones, H. M.; Smith, D. M. Chemical Physics, Vol. 174, Issue 3 https://doi.org/10.1016/0301-0104(93)80010-7	journal	August 1993
Three Dimensional Alignment of Molecules Using Elliptically Polarized Laser Fields Larsen, Jakob Juul; Hald, Kasper; Bjerre, Nis Physical Review Letters, Vol. 85, Issue 12 https://doi.org/10.1103/PhysRevLett.85.2470	journal	September 2000

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