Formation of C7H7+ ions from ethylbenzene and o-xylene ions: Fragmentation versus isomerization

Schulze, Sebastian; Paul, Anna; Weitzel, Karl‐Michael

doi:10.1016/j.ijms.2005.10.016

Cited by 16 publications

(17 citation statements)

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“…The blue symbols represents the theoretical k(E) curve. The best agreement between experimental and theoretical data has been obtained for a rather simple k(E) curve calculated from a formula by Troe (1983) as described in detail by Schulze, Paul, and Weitzel (2006).…”

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 85%

“…There are not only isomers of the C 7 H þ 7 products, there are also several isomers of the C 8 H þ 10 parent ion, (i) the above-mentioned ethylbenzene and (ii) ortho-, meta-, and para-xylene. An energy diagram of the C 8 H þ 10 =C 7 H þ 7 system as relevant for the current discussion is shown in Figure 4 (Schulze, Paul, & Weitzel, 2006).…”

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 99%

“…Current information on the methyl-loss from ethylbenzene ions comes from MIKES (mass analyzed ion kinetic energy spectroscopy) experiments (Kim, Choe, & Kim, 2001), from chemical ionization/fragmentation studies (Arnold et al, 2000;Fernandez et al, 2005;Fridgen et al, 2004) as well as from quantum chemistry (Grotemeyer & Grutzmacher, 1982;Choe, 2007). Here we discuss the direct measurement and analysis of the rate constant for methyl loss from energy selected ethylbenzene ions in a TPEPICO experiment employing a reflecting ion time-of-flight mass spectrometer (Malow, Penno, & Weitzel, 2003;Schulze, Paul, & Weitzel, 2006). Details of the experimental approach have been given elsewhere (Güthe et al, 1998).…”

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 99%

“…Potential energy curve for reactions in ethylbenzene and xylene ions. Adapted from Schulze, Paul, and Weitzel (2006). validity of various statistical k(E) models for extrapolation to the dissociation threshold D o has been critically discussed by Troe and co-workers suggesting that the uncertainty may be as large as 0.3 eV if an improper model is chosen and extrapolation spans more than 1 eV (Troe, Ushakov, & Viggiano, 2006).…”

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 99%

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Bond‐dissociation energies of cations—Pushing the limits to quantum state resolution

Weitzel

2011

Mass Spectrometry Reviews

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Currently available concepts for measuring the bond-dissociation energy of cations D(o) are reviewed. Starting from the traditional approach of directly measuring the threshold energy for the appearance of fragment ions, attention is directed towards indirect measurements, where threshold energies are obtained by extrapolation of, for example, rate constants k(E) or kinetic energy release (KER) data to the threshold of interest. More recent high precision techniques again utilize direct measurements, for example, of the disappearance energy of the parent ion. Most precise data are obtained from quantum state resolved measurements of the dissociation energy, where the threshold energy is bracketed by the existing quantum states above and below the threshold. Ultimately the limits can even be pushed beyond the bracketing limit, by investigating steps on the lineshape of homogeneously broadened single rotational transitions.

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Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 85%

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 99%

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 99%

Section: Bond-dissociation Energies Of Cationsmentioning

confidence: 99%

See 2 more Smart Citations

Bond‐dissociation energies of cations—Pushing the limits to quantum state resolution

Weitzel

2011

Mass Spectrometry Reviews

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“…The largest fragment ion formed in the fragmentation of xylenes, the C 7 H 7 + ion, is the subject of considerable interest itself. [21] There are three important isomers, 1) the benzylium, 2) the tropylium and 3) the tolylium. It is not a priori clear, which of these isomers dominates in the fs-mass spectra.…”

Section: Discussion and Summarymentioning

confidence: 99%

Distinction of ortho‐ and para‐Xylene by Femtosecond‐Laser Mass Spectrometry

2007

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Current literature in mass spectrometry

2007

J. Mass Spectrom.

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Formation of C7H7+ ions from ethylbenzene and o-xylene ions: Fragmentation versus isomerization

Cited by 16 publications

References 23 publications

Bond‐dissociation energies of cations—Pushing the limits to quantum state resolution

Bond‐dissociation energies of cations—Pushing the limits to quantum state resolution

Distinction of ortho‐ and para‐Xylene by Femtosecond‐Laser Mass Spectrometry

Current literature in mass spectrometry

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