Comparison of [C6H6]2+ ion structures: Application of electron capture induced decomposition to the study of isomers

Vékey, Károly; Brenton, A.G.; Beynon, J. H.

doi:10.1002/oms.1210240107

Cited by 17 publications

(9 citation statements)

References 20 publications

(1 reference statement)

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“…In contrast, the charge separation of DMDA 2+ forms CH 3 + [43]. It was expected that the ejection of CH 3 + occurs at a charge number higher than two.…”

Section: The Angular Distribution Of Terminal Substituents: H + Iodmentioning

confidence: 99%

Anisotropic Coulomb explosion of acetylene and diacetylene derivatives

Mitsubayashi

Yatsuhashi

Tanaka

et al. 2016

International Journal of Mass Spectrometry

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We investigated the significant differences in the angular distribution of carbon ions ejected from dimethylacetylenes (CH 3-C≡C-CH 3 and CH 3-C≡C-C≡C-CH 3) and diiodoacetylenes (I-C≡C-I and I-C≡C-C≡C-I) induced by a Coulomb explosion. The longest linear chain molecule ever reported was exposed to intense femtosecond laser fields (40 fs, < 5×10 14 Wcm-2) in this study. In the cases of the diiodoacetylenes, the angular distributions of the carbon ions were orthogonal with respect to the laser polarization direction and became narrower as the length of the molecules became longer. This is in sharp contrast to the dimethylacetylenes, in which the angular distributions of the carbon ions were parallel with respect to the laser polarization direction and became broader as the length of the molecules became longer. The specific angular distributions of carbon ions ejected from the diiodoacetylenes are explained in terms of the frozen molecular rotation, the blocking of carbon ion emission, and the bending of carbon chains at highly charged states due to the presence of iodines.

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“…In contrast, the charge separation of DMDA 2+ forms CH 3 + [43]. It was expected that the ejection of CH 3 + occurs at a charge number higher than two.…”

Section: The Angular Distribution Of Terminal Substituents: H + Iodmentioning

confidence: 99%

Anisotropic Coulomb explosion of acetylene and diacetylene derivatives

Mitsubayashi

Yatsuhashi

Tanaka

et al. 2016

International Journal of Mass Spectrometry

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“…The first observation of C 6 H n 2+ species from benzene and other cyclic compounds was made in 1938 by the impact of 72 eV electrons, with a high-resolution magnetic mass spectrometer . Over the years, experimental studies were conducted for investigating the double ionization of benzene upon electron − and photon impact, the latter using discharge lamps , or synchrotron radiation − as ionization sources. Doubly charged ions were analyzed using distinct spectroscopic techniques, covering time-of-flight mass spectrometry (TOF-MS), multiparticle coincidence detection, such as threshold photoelectron–photoelectron, photoelectron–photoion, and photoion–photoion coincidence techniques, as well as charge exchange (CE) doubly charged ion mass spectroscopy. − In spite of this great effort, to the best of our knowledge, there is still no comprehensive study on the formation of doubly charged species combining a wide range of impact energies and a variety of aromatic compounds bearing distinct substituents.…”

Section: Introductionmentioning

confidence: 99%

Production of Long-Lived Benzene Dications from Electron Impact in the 20–2000 eV Energy Range Combined with the Search for Global Minimum Structures

et al. 2020

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In this work, we report a systematic search of metastable C6H n 2+ (n = 1–6) dications from electron impact time-of-flight measurements of several benzene derivatives in combination with global minimum search based on the genetic algorithm. Our theoretical calculations reveal that the C6H n 2+ (n < 6) global minimum structures are completely different from that of the benzene dication, featuring linear carbon chains and/or cyclopropenylium moieties. Experimentally, the doubly charged species were investigated for a wide range of electron impact energies, from 20 to 2000 eV, for benzene and several monosubstituted compounds containing either electron-withdrawing or -donating groups. Furthermore, the C6H n 2+ production, evaluated from the yields of the dications with respect to that of the parent ion (or parent dication), was compared to those obtained from charge exchange in the doubly charged 2E spectra and electron impact experiments available in the literature. The yields of the long-lived benzene dications were contrasted to those analogues formed in chlorobenzene. Moreover, the formation of C6H n 2+ species is strongly dependent on the nature of substituent groups, with electron-withdrawing ones favoring the dication formation.

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“…Therefore, the internal energy available for deposition into M Cž varies with the ionization energy of N. 107,109,111,112 This overall process has been titled electron capture-induced dissociation (ECID). Unfortunately, this is a somewhat misleading description as it would be more accurately termed electron transfer-induced dissociation.…”

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confidence: 99%

“…107,112,113 ECID products formed in the second field-free region were analyzed by scanning the electrostatic analyzer (ESA) voltages between E and 2E, a range of potentials within which the singly charged ions formed from doubly charged precursor ions in the second field-free region are transmitted. Products in this kinetic energy-to-charge region can also be formed via the charge separation process of M 2C to generate m 1 C and m 2 C .…”

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confidence: 99%

“…113 In the last two decades, ECID has been applied for the characterization of the structures of doubly charged precursor ions, 107,116,117 differentiation of isomers 112,118 and the determination of fragmentation pathways. 114,119 It is possible to use ECID as an alternative to charge stripping for the determination of the ionization energies of singly charged ions.…”

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Charge permutation reactions in tandem mass spectrometry

McLuckey

2004

J. Mass Spectrom.

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Central to the tandem mass spectrometry experiment is the process that gives rise to product ions, i.e. the reaction intermediate to stages of mass analysis. Changes in mass or charge of the parent ion (or both) are generally readily detected by all forms of tandem mass spectrometry. Charge changing, or charge permutation, reactions have a long history in mass spectrometry. However, with the advent of new ionization methods, such as electrospray ionization, and the expansion of tandem mass spectrometry instrumentation to include ion trapping instruments, the past decade has seen a major increase in the types of charge permutation reactions that can be studied. Most charge permutation reactions involve electrons or protons as the charge mediating agents. This report, therefore, provides an overview of charge permutation reactions involving protons or electrons. Particular emphasis is placed on processes that involve interactions of precursor ions with gaseous neutral species, electrons or oppositely charged ions. Charge permutation reactions involving electron gain/loss are described first according to a rough order of the energy required for the reaction beginning with the most endoergic reactions and ending with the most exoergic reactions. An analogous approach is then taken with charge permutation reactions involving proton gain/loss. Important charge permutation reactions discussed herein, among others, include those referred to as charge inversion, charge stripping, electron capture dissociation, collision-induced ionization and charge separation. These reaction types, and others described herein, are the subjects of active research and are also finding use in many current areas of application.

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Comparison of [C₆H₆]²⁺ ion structures: Application of electron capture induced decomposition to the study of isomers

Cited by 17 publications

References 20 publications

Anisotropic Coulomb explosion of acetylene and diacetylene derivatives

Anisotropic Coulomb explosion of acetylene and diacetylene derivatives

Production of Long-Lived Benzene Dications from Electron Impact in the 20–2000 eV Energy Range Combined with the Search for Global Minimum Structures

Charge permutation reactions in tandem mass spectrometry

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