Metastable dissociation of doubly charged ions produced from toluene: Kinetic energy release upon charge separation and H2 elimination

AbstractThe decompositions of doubly-charged ions given by a number of C3 -C8 aliphatic and alicyclic hydrocarbons have been investigated in a double-focusing mass spectrometer. Many processes were found in which high kinetic energy CH3+ and C2H3+ ions are formed. Doubly-charged ions fragment by more than one route and in many cases, high kinetic energy fragment ions are formed in at least two different ways. Metastable transitions common to several compounds were observed, the intensities rising as the degree of unsaturation increased.

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A method for calculating the shapes of peaks resulting from fragmentations of metastable ions in a mass spectrometer. II. Peak shapes arising from a distribution of kinetic energy releases: determination of distribution function

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1980.0134 ◽

1980 ◽

Vol 373 (1752) ◽

pp. 13-25 ◽

Cited By ~ 34

Keyword(s):

Kinetic Energy ◽

Energy Release ◽

Preceding Paper ◽

Kinetic Energy Release ◽

Peak Shape ◽

Doubly Charged Ions ◽

Metastable Ions ◽

Product Ions ◽

Doubly Charged

Following the calculations described in the preceding paper (part I), which determine the MIKE peak shape arising from a discrete kinetic energy release, a method is presented for extending the calculations for the determination of the kinetic energy release distribution, n (T), from any experimental peak shape. This new approach has the advantage, compared to previous work, that the distribution can be obtained directly and does not involve any trial and error methods. It applies equally well where discrimination occurs against some of the product ions having components of velocity parallel to the length of the instrument slits. A variety of peak shapes have been investigated and several examples are given of the energy release distribution for various ionic reactions. Charge separation reactions of doubly-charged ions have been examined and in one case, the reaction 91 2+ -> 52 + in toluene, the energy release function exhibits fine structure, which has not previously been observed.

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Kinetic Energy Release Distributions in the Fragmentation of O2 Molecules Induced by Fast Highly Charged Ions

Physica Scripta ◽

10.1238/physica.topical.092a00244 ◽

2001 ◽

Vol T92 (1) ◽

pp. 244-247

Author(s):

U. Werner ◽

B. SiegTmann ◽

R. Mann ◽

N. M. Kabachnik ◽

H. O. Lutz

Keyword(s):

Kinetic Energy ◽

Energy Release ◽

Kinetic Energy Release ◽

Highly Charged Ions ◽

Charged Ions

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Dynamics of Fragmentation Reactions From Peak Shapes in Multiparticle Coincidence Experiments

Laser Chemistry ◽

10.1155/lc.11.259 ◽

1991 ◽

Vol 11 (3-4) ◽

pp. 259-263 ◽

Cited By ~ 68

Author(s):

J. H. D. Eland

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Charge Separation ◽

Mass Spectra ◽

Doubly Charged Ions ◽

Fragmentation Reactions ◽

Doubly Charged ◽

Charged Ions ◽

Two Parameter ◽

Experimental Survey

An experimental survey of peak shapes in two-parameter mass spectra from charge separation of doubly charged ions has been combined with Monte-Carlo simulations of peak shapes for different mechanisms. As a result, the major mechanisms, deferred charged separation, secondary dissociation and concerted explosion, can now be recognised. Finer details and a number of recurrent peculiar peak shapes remain unexplained.

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Kinetic energy release of dissociating CO3+ions produced in collisions of multiply charged ions with CO

Physica Scripta ◽

10.1088/0031-8949/1997/t73/086 ◽

1997 ◽

Vol T73 ◽

pp. 267-269

Author(s):

H O Folkerts ◽

T Schlathölter ◽

R Hoekstra ◽

R Morgenstern

Keyword(s):

Kinetic Energy ◽

Energy Release ◽

Kinetic Energy Release ◽

Multiply Charged Ions ◽

Multiply Charged ◽

Charged Ions

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Diatomic molecules

10.1093/oso/9780198788980.003.0003 ◽

2018 ◽

Author(s):

John H. D. Eland ◽

Raimund Feifel

Keyword(s):

Diatomic Molecules ◽

Kinetic Energy Release ◽

Auger Spectroscopy ◽

Doubly Charged Ions ◽

Singly Charged ◽

High Level ◽

Doubly Charged ◽

Charged Ions ◽

Electron Transfer Kinetic ◽

Double Ionisation

Double ionisation of most of the experimentally accessible diatomic molecules has been studied previously by several techniques, including Auger spectroscopy, double electron transfer, kinetic energy release, and high-level theory. New double photoionisation spectra of HBr, HI, N2, CO, NO, O2, Br2, ICl, and I2 are presented here with analysis to identify the electronic states of the doubly charged ions. A simple empirical model is introduced to estimate double ionisation energies on the basis of orbital energies. For CO, NO, and O2, an indirect double ionisation mechanism is found, involving dissociation of a singly charged molecular ion followed by atomic autoionisation of one fragment. Energies of the dication states are listed with distinction between adiabatic and vertical values.

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