Photodissociation of vibrationally excited trifluoroiodomethane(1+) and trifluorobromomethane(1+) by a single infrared photon

Jarrold, Martin F.; Illies, Andreas J.; Kirchner, Nicholas J.; Wagner‐Redeker, Winfried; Bowers, Michael T.; Mandich, M. L.; Beauchamp, J. L.

doi:10.1021/j100235a034

Cited by 58 publications

(36 citation statements)

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“…͑4͒, using ⌬U ϭ2␦U. 16,21 This procedure would be exact in the absence of other broadening mechanisms, like spread of kinetic energy of parent ions, finite slit widths, finite diameter and divergence of the parent ion beam. We have previously studied, by numerical simulation of ion trajectories, the effect that these factors have on the shape of MIKE peaks in a magnetic mass spectrometer of reversed ͑BE͒ geometry, see Fig.…”

Section: Methodsmentioning

confidence: 99%

Kinetic-energy release in Coulomb explosion of metastable C3H52+

Głuch¹,

Fedor²,

Matt-Leubner³

et al. 2003

The Journal of Chemical Physics

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C 3 H 5 2+ , formed by electron impact ionization of propane, undergoes metastable decay into C2H2++CH3+. We have monitored this reaction in a magnetic mass spectrometer of reversed geometry that is equipped with two electric sectors (BEE geometry). Three different techniques were applied to identify the fragment ions and determine the kinetic-energy release (KER) of spontaneous Coulomb explosion of C3H52+ in the second and third field free regions of the mass spectrometer. The KER distribution is very narrow, with a width of about 3% [root-mean square standard deviation]. An average KER of 4.58±0.15 eV is derived from the distribution. High level ab initio quantum-chemical calculations of the structure and energetics of C3H52+ are reported. The activation barrier of the reverse reaction, CH3++C2H2+ (vinylidene), is computed. The value closely agrees with the experimental average KER, thus indicating that essentially all energy available in the reaction is partitioned into kinetic energy.

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Section: Methodsmentioning

confidence: 99%

Kinetic-energy release in Coulomb explosion of metastable C3H52+

Głuch¹,

Fedor²,

Matt-Leubner³

et al. 2003

The Journal of Chemical Physics

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“…16 The KERD for a reaction that occurs in ff2 can be derived from the shape of a metastable fragment ion in a MIKE scan by taking the derivative of the fragment ion yield with respect to the electric sector field voltage, after deconvolution with the parent ion peak. [16][17][18] The procedure is simpler and results are more robust if the MIKE peak is Gaussian. Either way, the average value of the KERD, ε, may be extracted.…”

Section: Methodsmentioning

confidence: 99%

“…8(a) applying the standard procedure of evaluating MIKE spectra which consists of (i) removing statistical noise, (ii) deconvoluting the fragment ion peak with the parent ion peak, (iii) differentiating the signal with respect to the sector field voltage, and (iv) transforming the sector-field voltage scale to the kinetic energy scale. 17,20 The resulting KER distribu- tions are shown in Fig. 8(d).…”

Section: Metastable Peak Shapes and Kinetic Energy Releasementioning

confidence: 99%

Metastable anions of dinitrobenzene: Resonances for electron attachment and kinetic energy release

Mauracher¹,

Denifl²,

Edtbauer³

et al. 2010

The Journal of Chemical Physics

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Attachment of free, low-energy electrons to dinitrobenzene (DNB) in the gas phase leads to DNB − as well as several fragment anions. DNB − , (DNB-H) − , (DNB-NO) − , (DNB-2NO) − , and (DNB-NO 2 )− are found to undergo metastable (unimolecular) dissociation. A rich pattern of resonances in the yield of these metastable reactions versus electron energy is observed; some resonances are highly isomer-specific. Most metastable reactions are accompanied by large average kinetic energy releases (KER) that range from 0.5 to 1.32 eV, typical of complex rearrangement reactions, but (1,3-DNB-H)− features a resonance with a KER of only 0.06 eV for loss of NO.(1,3-DNB-NO) − offers a rare example of a sequential metastable reaction, namely, loss of NO followed by loss of CO to yield C 5 H 4 O − with a large KER of 1.32 eV. The G4(MP2) method is applied to compute adiabatic electron affinities and reaction energies for several of the observed metastable channels.

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“…2a top) 136 Xe + for further analysis. The KERD is obtained by taking the derivative of the MIKE peak, properly deconvoluted with the shape of the parent ion peak, and transforming the sector field voltage to kinetic energies in the center of mass [30]. We have previously run extensive numerical simulations of ion trajectories following reactions with specified KERDs [27].…”

Section: Experimental Set-upmentioning

confidence: 99%

On the role of the II(1/2g) state in spontaneous dissociation of krypton and xenon dimer ions

Fedor

Echt

Głuch

et al. 2007

Chemical Physics Letters

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We have measured kinetic-energy-release distributions (KERD) for spontaneous dissociation of electronically excited dimer ions of krypton and xenon, formed by electron impact ionization of neutral precursors. The data cannot be reconciled by decay of the strongly bound II(1/2u) state that successfully explains dissociation of Ne þ 2 and Ar þ 2 . Instead, the KERD is dominated by contributions from the weakly bound II(1/2g) state that has so far escaped a convincing experimental characterization. The present data can be utilized to assess the accuracy of ab initio potential energy curves of this state.

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Photodissociation of vibrationally excited trifluoroiodomethane(1+) and trifluorobromomethane(1+) by a single infrared photon

Cited by 58 publications

References 1 publication

Kinetic-energy release in Coulomb explosion of metastable C3H52+

Kinetic-energy release in Coulomb explosion of metastable C3H52+

Metastable anions of dinitrobenzene: Resonances for electron attachment and kinetic energy release

On the role of the II(1/2g) state in spontaneous dissociation of krypton and xenon dimer ions

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