Three-body fragmentation dynamics of ${\mathrm{CH}}_{3}{\mathrm{CCH}}^{3+}$ investigated by 50-keV/u ${\mathrm{Ne}}^{8+}$ impact: Comparison with its isomer ion ${\mathrm{CH}}_{2}{{\mathrm{CCH}}_{2}}^{\phantom{\rule{4pt}{0ex}}3+}$

Three-body fragmentation dynamics of ${CH}_{3} {CCH}^{3 +}$ investigated by 50-keV/u ${Ne}^{8 +}$ impact: Comparison with its isomer ion ${CH}_{2} {CCH}_{2}^{3 +}$

Hang Yuan, Zhongfeng Xu, Shenyue Xu, Chao Ma, Zhen Zhang, Dalong Guo, Xiaolong Zhu, Dongmei Zhao, Shaofeng Zhang, Shuncheng Yan, Yong Gao, Ruitian Zhang, and Xinwen Ma

Phys. Rev. A 105, 022814 – Published 22 February 2022

Abstract

The three-body fragmentation dynamics of propyne $({CH}_{3} C C H)$ to $H^{+}$ $+$ $C H^{+}$ $+$ $C_{2} H_{2}^{+}$ and $H^{+}$ $+$ ${CH}_{2}^{+}$ $+$ $C_{2} H^{+}$ is investigated by 50-keV/u ${Ne}^{8 +}$ ion impact. Employing the reaction microscope, all three ionic fragments are detected in coincidence, and the momentum vector as well as kinetic energy of each fragment is obtained. By analyzing the momentum and kinetic energy correlation between different fragments, various fragmentation mechanisms are identified, and the relative ratio of each mechanism is determined. We find that the concerted fragmentation with CH and CC bonds breaking simultaneously and the sequential pathway with CH breakage prior to the CC breakage are the major contributions to both channels. In contrast, the sequential pathway with CC breakage prior to CH breakage was found to make a minor contribution only to the $H^{+}$ $+$ $C H^{+}$ $+$ $C_{2} H_{2}^{+}$ channel. In addition, we compare the present results for ${CH}_{3} C C H$ with ${CH}_{2} {CCH}_{2}$ published in Ma et al. [C. Ma, S. Xu, D. Zhao, D. Guo, S. Yan, W. Feng, X. Zhu, and X. Ma, Phys. Rev. A 101, 052701 (2020)]. The location of the CH and CC bonds' breakage, either from distinct C atoms or from the same C atom, leads to similar dissociation mechanisms but different ionic fragments for the two isomers.

Received 19 August 2021
Accepted 1 February 2022

DOI:https://doi.org/10.1103/PhysRevA.105.022814

Physics Subject Headings (PhySH)

Charge-transfer collisions Chemical reactions

Atomic, Molecular & Optical

Authors & Affiliations

Hang Yuan^1,2, Zhongfeng Xu¹, Shenyue Xu ^2,3,*, Chao Ma⁴, Zhen Zhang¹, Dalong Guo^2,3, Xiaolong Zhu ^2,3, Dongmei Zhao², Shaofeng Zhang^2,3, Shuncheng Yan^2,3, Yong Gao^2,3, Ruitian Zhang^2,3, and Xinwen Ma^2,3,†

¹School of Physics, Xi'an Jiaotong University, Xi'an 710049, China
²Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China
³School of Nuclear Science and Technology, University of Chinese Academy of Sciences, Beijing 100049, China
⁴Foundation Department, Engineering University of PAP, Xi'an 710086, China

^*s.xu@impcas.ac.cn
^†x.ma@impcas.ac.cn

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Vol. 105, Iss. 2 — February 2022

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Figure 1
Dalitz plot for the $H^{+}$ $+$ $C H^{+}$ $+$ $C_{2} H_{2}^{+}$ channel. (a) Experimental data. Black, red (gray) and blue (dashed) rectangles works as filters to deduce KE distributions of the fragments shown in Figs. 2–2. The main contribution to the black rectangle is concerted fragmentation with an admixture from sequential pathway A. The red rectangle only contains the contribution of pathway A. Events inside the blue dashed rectangle are attributed to pathway B. The inset shows the chemical structure of ${CH}_{3} C C H$ and the bond cleavage leading to this channel. (b) Calculated momentum correlations of the three ionic fragments as the function of Dalitz coordinates ( $X, Y$ ). The red, purple, and black arrows represent the momentum vectors of the $H^{+}$ , $C H^{+}$ , and $C_{2} H_{2}^{+}$ ions, respectively.
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Figure 2
(a) Newton diagram normalized to the momentum of $H^{+}$ . (b) The $γ_{INT}$ vs ${KER}_{INT}$ plot for events outside the blue dashed rectangle in Fig. 1, assuming $C_{3} H_{3}^{2 +}$ as the intermediate dication. The red dashed rectangle in this figure arises exclusively from pathway A. Counts inside this rectangle are used to evaluate the total counts of pathway A. (c) Newton diagram normalized to the momentum of $C H^{+}$ for the events inside the blue rectangle in Fig. 1. Such events are assigned to pathway B. (d) The $γ_{INT}$ vs ${KER}_{INT}$ plot for events inside the blue dashed rectangle in Fig. 1 which are assigned to pathway B with the intermediate dication of $C_{2} H_{3}^{2 +}$ . (e)–(g) KE distributions of $H^{+}$ , $C H^{+}$ , and $C_{2} H {_{2}}^{+}$ with the Dalitz filters defined in Fig. 1. These curves are normalized to unity at the maximum.
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Figure 3
Experimental and theoretical Dalitz plot for the $H^{+}$ $+$ $C H {_{2}}^{+}$ $+$ $C_{2} H^{+}$ channel. (a) Dalitz plot. Black and red (gray) rectangles are Dalitz filters used to deduce KE distributions of the fragments shown in Figs. 4– 4. The black rectangle contains mixed contribution from both concerted fragmentation and sequential pathway C, while the red rectangle only includes the contribution of pathway C. The inset shows the chemical structure of ${CH}_{3} C C H$ and the bond cleavage leading to this channel. (b) Calculated momentum correlations of the three ionic fragments as the function of Dalitz coordinates ( $X, Y$ ). The red, purple, and black arrows represent the momentum vectors of the $H^{+}$ , $C H_{2}^{+}$ , and $C_{2} H^{+}$ ions, respectively.
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Figure 4
(a) Newton diagram normalized to the momentum of $H^{+}$ . (b)–(d) KE distributions of $H^{+}$ , $C H {_{2}}^{+}$ , and $C_{2} H^{+}$ with the Dalitz filters defined in Fig. 3. They are normalized to unity at the maximum. (e) The $γ_{INT}$ vs ${KER}_{INT}$ plot assuming $C_{3} H_{3}^{2 +}$ as the intermediate dication. The red dashed rectangle in this figure arises exclusively from pathway C. The total count of pathway C is evaluated according to the count inside this rectangle.
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Figure 5
Comparison between fragmentation of ${{CH}_{3} C C H}^{3 +}$ (left panels) and ${CH}_{2} {CCH}_{2}^{3 +}$ (right panels). Upper panels for the fragmentation channels with CH and CC bonds cleavage from different C atoms, while lower panels for CH and CC bonds cleavage from the same C atom. The data of ${CH}_{2} {CCH}_{2}^{3 +}$ are from Ref. [35].
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Physical Review A

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Three-body fragmentation dynamics of ${CH}_{3} {CCH}^{3 +}$ investigated by 50-keV/u ${Ne}^{8 +}$ impact: Comparison with its isomer ion ${CH}_{2} {CCH}_{2}^{3 +}$

Hang Yuan, Zhongfeng Xu, Shenyue Xu, Chao Ma, Zhen Zhang, Dalong Guo, Xiaolong Zhu, Dongmei Zhao, Shaofeng Zhang, Shuncheng Yan, Yong Gao, Ruitian Zhang, and Xinwen Ma

Phys. Rev. A 105, 022814 – Published 22 February 2022

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Physical Review A

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Three-body fragmentation dynamics of CH3CCH3+ investigated by 50-keV/u Ne8+ impact: Comparison with its isomer ion CH2CCH23+

Hang Yuan, Zhongfeng Xu, Shenyue Xu, Chao Ma, Zhen Zhang, Dalong Guo, Xiaolong Zhu, Dongmei Zhao, Shaofeng Zhang, Shuncheng Yan, Yong Gao, Ruitian Zhang, and Xinwen Ma

Phys. Rev. A 105, 022814 – Published 22 February 2022

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Three-body fragmentation dynamics of ${CH}_{3} {CCH}^{3 +}$ investigated by 50-keV/u ${Ne}^{8 +}$ impact: Comparison with its isomer ion ${CH}_{2} {CCH}_{2}^{3 +}$