Collision-induced fragmentation and neutralization of methanol cluster cations

Christen, Wolfgang; Even, U.

doi:10.1007/s100530170066

Cited by 12 publications

(4 citation statements)

References 14 publications

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“…Moreover, in a similar manner high energy impact of cluster ions on surfaces has also been described in terms of complete shattering of the clusters 18,19 ͓see also ͑i͒ other pioneering studies in this field including Refs. 20-30 and ͑ii͒ some of the recent studies [31][32][33][34][35][36][37][38][39] ͔. It is interesting to note here that all of these distribution patterns obtained in cluster ion fragmentation studies are similar to what has been observed earlier in nuclear fragmentation reactions.…”

Section: Introductionsupporting

confidence: 82%

Surface-induced dissociations and reactions of acetonitrile monomer, dimer and trimer ions

Mair

Herman

Fedor

et al. 2003

The Journal of Chemical Physics

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Articles you may be interested inSurface induced dissociations of protonated ethanol monomer, dimer and trimer ions: Trimer break-down graph from the collision energy dependence of projectile fragmentation Surface-induced dissociation of singly and multiply charged fullerene ions Dissociations and reactions induced by impact of acetonitrile monomer ions (CH 3 CN ϩ , CD 3 CN ϩ ), dimer ions ͓(CH 3 CN) 2 ϩ , (CD 3 CN) 2 ϩ ͔ and trimer ions ͓(CD 3 CN) 3 ϩ ͔ on a hydrocarbon-covered stainless-steel surface were investigated over the projectile energy range of 3-70 eV. Both simple dissociations of the projectile ion and chemical reactions of H-atom transfer from the surface material ͑followed by dissociations of the protonated projectile ion formed͒ were observed for the monomer ions. Results obtained for the dimer ions (CD 3 CN) 2 ϩ indicate the formation of the protonated acetonitrile ions via surface-induced reactions in two ways: ͑i͒ an intracluster ionmolecule reaction followed by dissociation to form CD 3 CND ϩ , and ͑b͒ a hydrogen pick-up reaction from the surface material during the interaction of the dimer ion with the surface leading to CD 3 CNH ϩ . A simple model based on the Brauman double-well potential-suggested earlier to explain the occurrence of analogous reactions in acetone cluster ion/surface interactions-accounts well for the formation of both product ions. Moreover, in adition to these protonated species, considerable amounts of nondissociated dimer ions were observed after acetonitrile dimer cation/ surface collisions with energies up to 25 eV. Similarly, both trimer ions ͑up to 20 eV͒ and dimer ions ͑up to 30 eV͒ were observed in acetonitrile trimer cation/surface interactions. This indicates that unimolecular dissociation kinetics governs the product formation for these cluster ion/surface interactions.

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Section: Introductionsupporting

confidence: 82%

Surface-induced dissociations and reactions of acetonitrile monomer, dimer and trimer ions

Mair

Herman

Fedor

et al. 2003

The Journal of Chemical Physics

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“…[6][7][8][9] At the same time clusterimpact experiments have been carried out by several groups. 13 For lower impact velocities the clusters can be generated by supersonic expansion. The velocity of impact is controlled by a second electric field that is retarding the approach to the surface.…”

Section: Introductionmentioning

confidence: 99%

Evanescent high pressure during hypersonic cluster-surface impact characterized by the virial theorem

Gross

Levine

2005

The Journal of Chemical Physics

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Matter under extreme conditions can be generated by a collision of a hypersonic cluster with a surface. The ultra-high-pressure interlude lasts only briefly from the impact until the cluster shatters. We discuss the theoretical characterization of the pressure using the virial theorem and develop a constrained molecular-dynamics procedure to compute it. The simulations show that for rare-gas clusters the pressures reach the megabar range. The contribution to the pressure from momentum transfer is comparable in magnitude and is of the same sign as that ("the internal pressure") due to repulsive interatomic forces. The scaling of the pressure with the reduced mechanical variables is derived and validated with reference to the simulations.

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“…The largest peak in Figure is that of the lone p -difluorobenzene (P) ion. The spectrum is also dominated by a series of protonated methanol (M) peaks, (M n =3−14 H + ) that form via proton transfer reactions in neat ionized methanol clusters . A small occurrence of the P 2 + dimer is also noted.…”

Section: Resultsmentioning

confidence: 95%

Reactions within p-Difluorobenzene/Methanol Heterocluster Ions: A Detailed Experimental and Theoretical Investigation

et al. 2009

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The reactivity of p-difluorobenzene/methanol cluster ions has been investigated by using triple quadrupole mass spectrometry and DFT calculations. The present study was performed in light of a recent investigation of p-difluorobenzene/methanol (P = F-C(6)H(4)-F and M = CH(3)OH) heterocluster ions where the solvent-catalyzed formation of p-fluoroanisole (A = CH(3)O-C(6)H(4)-F) was observed in P(M)(2)(+) clusters and not in PM(+) clusters. The results of our mass selected cluster ion study and theoretical calculations confirm that a single extra molecule of methanol can lower the reaction activation energy barrier in agreement with previous work for smaller clusters (PM(+) and P(M)(2)(+)). However, we also observe that P(M)(3)(+) and P(M)(4)(+) clusters undergo evaporative loss of neutral methanol to establish the P(M)(2)(+) cluster before reacting. P(M)(n>4)(+) clusters are capable of reacting through multiple pathways, in some cases generating a 1,4-dimethoxybenzene (B = CH(3)O-C(6)H(4)-OCH(3)) product via two separate substitution reactions within the same cluster ion. DFT calculations were employed to model the structures of the parent cluster ions, and transition state calculations were used to evaluate the activation energy for the p-fluoroanisole-forming substitution reaction. The calculations suggest that the reaction proceeds through a transition state containing a six-member hydrogen-bonded ring involving a reacting methanol and a second methanol that significantly lowers the activation energy.

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Collision-induced fragmentation and neutralization of methanol cluster cations

Cited by 12 publications

References 14 publications

Surface-induced dissociations and reactions of acetonitrile monomer, dimer and trimer ions

Surface-induced dissociations and reactions of acetonitrile monomer, dimer and trimer ions

Evanescent high pressure during hypersonic cluster-surface impact characterized by the virial theorem

Reactions within p-Difluorobenzene/Methanol Heterocluster Ions: A Detailed Experimental and Theoretical Investigation

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