Energy-dependent timescales in the dissociation of diiodothiophene dication

Kukk, E.; Pihlava, Lassi; Kooser, Kuno; Stråhlman, Christian; Maclot, Sylvain; Kivimäki, A.

doi:10.1039/d2cp05309h

Cited by 3 publications

(3 citation statements)

References 49 publications

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“…Classical trajectory calculations of point charges interacting under Coulomb’s law can provide a useful guide for interpreting Coulomb explosion images. ,,, A model that assumes instantaneous fragmentation and purely electrostatic repulsion is generally only a good approximation for the Coulomb explosion of highly charged polycations, which fragment promptly into exclusively ionic products . However, through modifications that build on this basic framework, more complex fragmentation processes can be modeled, such as the three-body sequential breakup. ,, Here, we extend this methodology to simulate the three-body sequential breakup of a molecular dication, which yields ionic and neutral products.…”

Section: Methodsmentioning

confidence: 99%

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The Role of Momentum Partitioning in Covariance Ion Imaging Analysis

Walmsley,

McManus,

Kumagai

et al. 2024

J. Phys. Chem. A

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We present results from a covariance ion imaging study, which employs extensive filtering, on the relationship between fragment momenta to gain deeper insight into photofragmentation dynamics. A new data analysis approach is introduced that considers the momentum partitioning between the fragments of the breakup of a molecular polycation to disentangle concurrent fragmentation channels, which yield the same ion species. We exploit this approach to examine the momentum exchange relationship between the products, which provides direct insight into the dynamics of molecular fragmentation. We apply these techniques to extensively characterize the dissociation of 1-iodopropane and 2-iodopropane dications prepared by siteselective ionization of the iodine atom using extreme ultraviolet intense femtosecond laser pulses with a photon energy of 95 eV. Our assignments are supported by classical simulations, using parameters largely obtained directly from the experimental data.

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Section: Methodsmentioning

confidence: 99%

“… 52 However, through modifications that build on this basic framework, more complex fragmentation processes can be modeled, such as the three-body sequential breakup. 28 , 53 , 54 Here, we extend this methodology to simulate the three-body sequential breakup of a molecular dication, which yields ionic and neutral products.…”

Section: Methodsmentioning

confidence: 99%

The Role of Momentum Partitioning in Covariance Ion Imaging Analysis

Walmsley,

McManus,

Kumagai

et al. 2024

J. Phys. Chem. A

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“…A significant fraction of these events can be cut off in the simulated trajectories due to the limited integration time of 1 ps. The time scale of the secondary dissociation is also strongly dependent on the available internal energy 67 and its distribution is only very approximatively represented by the simulations. There are also several fragments predicted by the simulation that are missing in the experiments (see Table 1).…”

Section: Fragmentation Simulations and Charge Analysismentioning

confidence: 99%

Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer

Pihlava,

Svensson,

Kukk

et al. 2024

Phys. Chem. Chem. Phys.

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Distinguishing the XUV-induced Coulomb explosion dynamics of iodobenzene using covariance analysis

Walmsley,

Allum,

Harries

et al. 2024

J. Phys. B: At. Mol. Opt. Phys.

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The primary and secondary fragmentation dynamics of iodobenzene following its ionization at 120 eV were determined using three-dimensional velocity map imaging and covariance analysis. Site-selective iodine 4d ionization was used to populate a range of excited polycationic parent states, which primarily broke apart at the carbon-iodine bond to produce I+ with phenyl or phenyl-like cations (CnHx + or CnHx 2+, with n = 1-6 and x = 1-5). The molecular products were produced with varying degrees of internal excitation and dehydrogenation, leading to stable and unstable outcomes. This further allowed the secondary dynamics of C6Hx 2+ intermediates to be distinguished using native-frame covariance analysis, which isolated these processes in their own centre-of-mass reference frames. The mass resolution of the imaging mass spectrometer used for these measurements enabled the primary and secondary reaction channels to be specified at the level of individual hydrogen atoms, demonstrating the ability of covariance analysis to comprehensively measure the competing fragmentation channels of aryl cations, including those involving intermediate steps.

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Energy-dependent timescales in the dissociation of diiodothiophene dication

Abstract: Photodissociation molecular dynamics of gas-phase 2,5-diiodothiophene molecules was studied in an electron-energy-resolved electron-multi-ion coincidence experiment performed at the FinEstBeAMS beamline of MAX IV synchrotron. Following the photoionization of the iodine...

Cited by 3 publications

References 49 publications

The Role of Momentum Partitioning in Covariance Ion Imaging Analysis

The Role of Momentum Partitioning in Covariance Ion Imaging Analysis

Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer

Distinguishing the XUV-induced Coulomb explosion dynamics of iodobenzene using covariance analysis

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