Fragmentation Dynamics of a Carbon Dioxide Dication Produced by Ion Impact

Yuan, Hang; Xu, Shenyue; Wang, Enliang; Xu, Jiawei; Gao, Yue; Zhu, Xiaolong; Guo, Donghui; Ma, Biao; Zhao, Dongmei; Zhang, Shaofeng; Yan, Song; Zhang, Wei; Gao, Yong; Xu, Zhongfeng; Ma, Xinwen

doi:10.1021/acs.jpclett.2c01908

Cited by 4 publications

(2 citation statements)

References 35 publications

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“…In their study on the bond rearrangement of CO 2 molecules, Zhao et al [13] reported a branching ratio of 0.0796 ± 0.0058%, among all the fragmentation channels of the dication following strong field ionization of the neutral CO 2 molecules. In another study, Yuan et al [19] reported a 1.7% branching ratio of the C + + O + 2 channel fragmenting into C + + O + + O. Other than these two studies, to the best of our knowledge, the branching ratio for this channel is not mentioned anywhere else.…”

Section: Branching Ratiomentioning

confidence: 86%

“…To date, all the reported studies have centered on light-molecule interactions for molecular oxygen production. Notably, there is one study, to the best of our knowledge, by Yuan et al [19], in which the authors reported on molecular oxygen formation due to ion-molecule interaction. They observed O + 2 coinciding with C + upon a 1 keV/u Ar 2+ beam.…”

Section: Introductionmentioning

confidence: 99%

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Bond Rearrangement Produces Oxygen from Carbon Dioxide

Kumar,

Mukherjee,

Singh

et al. 2024

Atoms

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We present a direct observation where fragmentation of the CO22+ dication, upon highly charged ion impact, leads to the formation of molecular oxygen. We assert that molecular bending and bond stretching modes of the dication represent the underlying mechanisms driving the generation of O2+. We conducted ab initio quantum chemistry calculations for the electronic state of the dication and found that the 5A1 state is responsible for the bond-rearrangement reaction. The branching ratios of this channel for multiple projectile beams of varying charge and velocity have been reported and are found to be independent of the projectile’s charge and velocity.

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Section: Branching Ratiomentioning

confidence: 86%

Section: Introductionmentioning

confidence: 99%

Bond Rearrangement Produces Oxygen from Carbon Dioxide

Kumar,

Mukherjee,

Singh

et al. 2024

Atoms

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Fragmentation of SO2q+ (q = 2–4) induced by 1 keV electron collision

Chen

Wang

Zhao

et al. 2023

The Journal of Chemical Physics

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We report an investigation on the fragmentation dynamics of SO2 q+ ( q = 2–4) induced by 1 keV electron collision utilizing an ion momentum imaging spectrometer. Six complete Coulomb explosion channels were observed using the time-of-flight correlation map. The kinetic energy release distributions for these channels were obtained and compared with those available in the literature. The fragmentation mechanisms of the three-body dissociation channels were analyzed by the Dalitz plots and Newton diagrams. Both concerted breakup and sequential fragmentation pathways were identified in the channel SO23+ → O+ + O+ + S+, whereas only the concerted breakup mechanism was confirmed for the channels SO24+ → O+ + O+ + S2+ and SO24+ → O2+ + O+ + S+. Using the Coulomb explosion model, we determined the molecular geometry from the concerted fragmentation channels, and the obtained bond lengths and angles from the higher kinetic energy release peaks are close to that of the neutral SO2 obtained by high-level quantum chemical calculation. The present results indicate that the electron impact experiment is a potential tool for the Coulomb explosion imaging of small molecules.

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