Collision-induced dissociation dynamics of the enolic acetone cation: evidence for non-ergodic behavior

Zhao, Runzhi; Tosh, R; Shukla, Anil

doi:10.1016/s0168-1176(97)00064-5

Cited by 8 publications

(8 citation statements)

References 41 publications

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“…Our semi-empirical calculations show that the energy of the isomeric ion is higher by 226 kJ mole -1 (2.35 eV) than that for the ion of the molecular structure whereas estimation, using the NIST thermochemical database, gives a value of 218 ± 3 kJ mole -1 . The scheme of energy levels for the acetone cation and its isomers 14 may be extended by this isomer.…”

Section: Discussionmentioning

confidence: 99%

“…A reaction of Xe + with acetone is also interesting due to a very small difference in energy of the excited, longlived A state of the acetone cation and the atomic ion. Photoionization, photoelectron spectroscopy, photoelectron-photoion coincidence (PEPICO) [7][8][9][10] and collisioninduced decay [11][12][13][14] studies indicate an important role for the excited, long-lived A state of the acetone cation and its isomerization in the fragmentation process. Detailed reviews of the subject are available.…”

Section: Introductionmentioning

confidence: 99%

“…Detailed reviews of the subject are available. 13,14 The ionization potential of Xe + [IP(Xe)] is 1.7 eV higher than the energy required to form the CH 3 CO + fragment ion which is expected to be the main product of its reaction with acetone. At the same time, IP(Xe) is higher by 0.23 eV than the adiabatic second band ionization potential corresponding to the A state of the acetone cation.…”

Section: Introductionmentioning

confidence: 99%

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A Study of Ion—molecule Reactions in the Xe⁺ + Acetone System by Flow Technique Mass Spectrometry

Vinogradov

Misharin

2002

Eur J Mass Spectrom (Chichester)

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Flow reactor technique mass spectrometry was used to study the reaction of Xe+ ions with acetone and the subsequent transformation of the product ions at a buffer gas (He) pressure of 1.1 Torr. A kinetic scheme describing the evolution of the ionic composition of the most abundant ionic constituents (up to the fourth generation) has been determined. The values of rate constants and branching ratios of the key reactions involved in the scheme have been evaluated from experimental kinetic dependences. The main channel of the Xe+ + acetone reaction (which occurs practically at each collision) is the production of the CH3CO+ fragment as the exothermicity of the charge transfer is higher than the dissociation threshold of the ground state acetone cation. The formation of a 2.5% fraction of the molecular ion via a parallel channel indicates that the production of an electronically-excited, long-lived state of the acetone cation takes place. The competition of association and particle-rearrangement processes in the reactions of the CH3CO+ ion and its CH3CO+(CH3)2CO cluster with acetone was also studied. It was found that channels in which a rearrangement of particles takes place (the production of protonated acetone for CH3CO+ and the protonated acetone dimer for CH3CO+(CH3)2CO) are slower than the association process at 1.1 Torr. Total effective rate constants (involving all the channels) for these ions are approximately several 10−10 cm3 s−1 units and the rate constant for the cluster ion is about 40% smaller. The production of slowly reacting C3H6O+ ions with an increase of acetone concentration was observed. Their structure may be ascribed to the enolic acetone cation (CH2COHCH3+). The only pathway for the loss of the ion in an exoergic reaction with acetone is the association process. The product of the process, i.e. the non-protonated ionic dimer of acetone, was also observed in the mass spectra.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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A Study of Ion—molecule Reactions in the Xe⁺ + Acetone System by Flow Technique Mass Spectrometry

Vinogradov

Misharin

2002

Eur J Mass Spectrom (Chichester)

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“…[77][78][79][80][81] However, the vast majority of the techniques used collected only charged reaction products. Given this limitation, these studies assigned the dominant dissociation channel to…”

Section: E Acetone Radical Fragmentationmentioning

confidence: 99%

“…Many studies exist on CID and ETD of the acetone radical [77][78][79][80][81] . However, the vast majority of the techniques used collected only charged reaction products.…”

Section: E Acetone Radical Fragmentationmentioning

confidence: 99%

Cryogenic micro-calorimeters for mass spectrometric identification of neutral molecules and molecular fragments

Novotný

Allgeier

Enss

et al. 2015

Journal of Applied Physics

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We have systematically investigated the energy resolution of a magnetic micro-calorimeter (MMC) for atomic and molecular projectiles at impact energies ranging from E ≈ 13 to 150 keV. For atoms we obtained absolute energy resolutions down to ∆E ≈ 120 eV and relative energy resolutions down to ∆E/E ≈ 10 −3 . We also studied in detail the MMC energy-response function to molecular projectiles of up to mass 56 u. We have demonstrated the capability of identifying neutral fragmentation products of these molecules by calorimetric mass spectrometry. We have modeled the MMC energy-response function for molecular projectiles and conclude that backscattering is the dominant source of the energy spread at the impact energies investigated. We have successfully demonstrated the use of a detector absorber coating to suppress such spreads. We briefly outline the use of MMC detectors in experiments on gas-phase collision reactions with neutral products. Our findings are of general interest for mass spectrometric techniques, particularly for those desiring to make neutral-particle mass measurements.

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Contributions of C3H6O+� ions with the oxygen on the middle carbon to gas phase ion chemistry

McAdoo

2000

Mass Spectrom. Rev.

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Collision-induced dissociation dynamics of the enolic acetone cation: evidence for non-ergodic behavior

Cited by 8 publications

References 41 publications

A Study of Ion—molecule Reactions in the Xe⁺ + Acetone System by Flow Technique Mass Spectrometry

A Study of Ion—molecule Reactions in the Xe⁺ + Acetone System by Flow Technique Mass Spectrometry

Cryogenic micro-calorimeters for mass spectrometric identification of neutral molecules and molecular fragments

Contributions of C3H6O+� ions with the oxygen on the middle carbon to gas phase ion chemistry

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Collision-induced dissociation dynamics of the enolic acetone cation: evidence for non-ergodic behavior

Cited by 8 publications

References 41 publications

A Study of Ion—molecule Reactions in the Xe+ + Acetone System by Flow Technique Mass Spectrometry

A Study of Ion—molecule Reactions in the Xe+ + Acetone System by Flow Technique Mass Spectrometry

Cryogenic micro-calorimeters for mass spectrometric identification of neutral molecules and molecular fragments

Contributions of C3H6O+� ions with the oxygen on the middle carbon to gas phase ion chemistry

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Product

Resources

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A Study of Ion—molecule Reactions in the Xe⁺ + Acetone System by Flow Technique Mass Spectrometry

A Study of Ion—molecule Reactions in the Xe⁺ + Acetone System by Flow Technique Mass Spectrometry