Nuclear motion in carbonyl sulfide induced by resonant core electron excitation

Laksman, Joakim; Céolin, Denis; Gisselbrecht, Mathieu; Sörensen, Stacey Ristinmaa

doi:10.1063/1.3502116

Cited by 17 publications

(27 citation statements)

References 26 publications

(32 reference statements)

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“…There have been a number of previous studies of the fragmentation dynamics in OCS following strong-field multiple ionization [42,[89][90][91][92][93], as well as similar studies using single photon, [8,90,[94][95][96][97][98], ion [99,100] and electron impact [101]. Many of these studies examined three-body breakup and did not focus on the bond rearrangement channel leading to SO + formation.…”

Section: Resultsmentioning

confidence: 99%

“…Despite the increasing attention devoted to these processes, so far most studies have focused on a single molecular species and have occurred under an assortment of experimental conditions. For example, the initiating ioniza-tion mechanism in previous bond rearrangement studies has variously included single [8,11,[37][38][39][40][41][42] and multiple photons [5,22,26,27,43] as well as electron [23,28,44] and heavy ion impact [2,7,30]. To assist in understanding these dynamics we examine bond rearrangement following ultrafast strong-field double ionization of three triatomic molecules: carbon dioxide, carbonyl sulfide and water.…”

Section: Introductionmentioning

confidence: 99%

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Strong-field-induced bond rearrangement in triatomic molecules

et al. 2019

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A comparative study of bond rearrangement is reported for the double ionization of three triatomic molecules: carbon dioxide, carbonyl sulfide, and water (D2O). Specifically we study the formation of the molecular cation AC + from the edge atoms of a triatomic molecular dication ABC 2+ following double ionization by intense, short (23 fs, 790 nm) laser pulses. The comparison is made using the double ionization branching ratio of each molecule, thereby minimizing differences due to differing ionization rates. The rearrangement branching ratio is highest for water, which has a bent initial geometry, while CO2 and OCS are linear molecules. The angular distribution of O + 2 fragments arising from CO2 is essentially isotropic, while SO + from OCS and D + 2 from D2O are aligned with the laser polarization. In the CO2 and D2O cases, the angular distributions of the bond rearrangement channels are different from the angular distributions of the dominant dissociative double ionization channels CO + + O + and OD + + D + . Only the angular distribution of SO + from OCS is both aligned with the laser polarization and similar to the angular distribution of the largest dissociative channel, CO + + S + . The mixed behavior observed from the angular distributions of the different molecules stands in contrast to the relative consistency of the magnitude of the bond rearrangement branching ratio.I.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Strong-field-induced bond rearrangement in triatomic molecules

et al. 2019

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“…Our previous study of carbonyl sulphide found a similar phenomenon leading to C + /OS + with a less pronounced anisotropy parameter interpreted as a signature of a significantly longer time scale for this transient isomerization. 36 The rearrangement in CO 2 can be seen as an intermediate case. Despite the larger inertia of oxygen, our analysis arrives at the same value of the anisotropy parameter as for acetylene.…”

Section: A Transient Isomerizationmentioning

confidence: 99%

Role of the Renner-Teller effect after core hole excitation in the dissociation dynamics of carbon dioxide dication

Laksman¹,

Månsson

Grünewald³

et al. 2012

The Journal of Chemical Physics

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The fragmentation of the doubly-charged carbon dioxide molecule is studied after photoexcitation to the C 1s12πu and O 1s12πu states using a multicoincidence ion-imaging technique. The bent component of the Renner-Teller split states populated in the 1s→ π* resonant excitation at both the carbon and oxygen 1s ionization edges opens pathways to potential surfaces in highly bent geometries in the dication. Evidence for a complete deformation of the molecule is found in the coincident detection of C+ and \documentclass[12pt]{minimal}\begin{document}${\rm O}_2^+$\end{document}O2+ ions. The distinct alignment of this fragmentation channel indicates rapid deformation and subsequent fragmentation. Investigation of the complete atomization dynamics in the dication leading to asymmetric charge separation shows that the primary dissociation mechanisms, sequential, concerted, and asynchronous concerted, are correlated to specific fragment kinetic energies. The study shows that the bond angle in fragmentation can extend below 20°.

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“…6,26,27 Subsets of the data are then extracted by filtering by criteria for angle, momentum or fragmentation channel. 6,26,27 Subsets of the data are then extracted by filtering by criteria for angle, momentum or fragmentation channel.…”

Section: Experimental Methodsmentioning

confidence: 99%

Molecular dynamics of NH₃ induced by core-electron excitation

Walsh

Sankari

Laksman

et al. 2015

Phys. Chem. Chem. Phys.

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Nuclear motion in the N1s(-1)4a core-excited state of ammonia is investigated by studying the angular anisotropy of fragments produced in the decay of the highly excited molecule and compared with predictions from ab initio calculations. Two different fragmentation channels (H(+)/NH2(+) and H(+)/NH(+)/H) reveal complex nuclear dynamics as the excitation photon energy is tuned through the 4a1 resonance. The well-defined angular anisotropy of the fragments produced in the dissociation of the molecular dication species suggests a very rapid nuclear motion and the time scale of the nuclear dynamics is limited to the low fs timescale.

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Nuclear motion in carbonyl sulfide induced by resonant core electron excitation

Cited by 17 publications

References 26 publications

Strong-field-induced bond rearrangement in triatomic molecules

Strong-field-induced bond rearrangement in triatomic molecules

Role of the Renner-Teller effect after core hole excitation in the dissociation dynamics of carbon dioxide dication

Molecular dynamics of NH₃ induced by core-electron excitation

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Nuclear motion in carbonyl sulfide induced by resonant core electron excitation

Cited by 17 publications

References 26 publications

Strong-field-induced bond rearrangement in triatomic molecules

Strong-field-induced bond rearrangement in triatomic molecules

Role of the Renner-Teller effect after core hole excitation in the dissociation dynamics of carbon dioxide dication

Molecular dynamics of NH3 induced by core-electron excitation

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Molecular dynamics of NH₃ induced by core-electron excitation