State-selected studies of the reaction of NH3+ (ν1, ν2) with D2

Poutsma, John C.; Everest, Michael A.; Flad, Jonathan E.; Jones, Glenn C.; Zare, Richard N.

doi:10.1016/s0009-2614(99)00414-5

Cited by 12 publications

(12 citation statements)

References 15 publications

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“…[15][16][17] The two main results of this group are that ͑i͒ the reaction cross section does not depend on the internal state of NH 3 ϩ and that ͑ii͒ the cross section increases linearly with the collision energy. This is at variance with the present findings.…”

Section: Comparison With Other Workmentioning

confidence: 99%

“…[14][15][16][17] The latter reaction appears to be very efficient compared to ͑3͒: Kemper et al 14 measured a very strong increase of the NH 2 D ϩ production as the internal energy of NH 3 ϩ increases. Similarly, the group of Zare 15-17 observed a strong enhancement of the NH 2 D ϩ production when the collision energy reaches ϳ5 eV.…”

Section: Introductionmentioning

confidence: 99%

“…The mechanism of reaction ͑5͒, has been primarily attributed to the formation of NH 3 D ϩ ions according to reaction ͑2͒, with an internal energy above the dissociation limit. Poutsma et al 17 recently proposed a so-called collision induced dissociation mechanism, where the NH 3 ϩ -D 2 encounter first ejects one H atom, leading to the formation of a superexcited NH 2 D 2 ϩ ion which in turn dissociates to give NH 2 D ϩ . Yet, H and D atoms being equivalent from the molecular structure point of view, one may wonder why this mechanism does not produce NHD 2 ϩ .…”

Section: Introductionmentioning

confidence: 99%

“…Yet, H and D atoms being equivalent from the molecular structure point of view, one may wonder why this mechanism does not produce NHD 2 ϩ . Notwithstanding the existence of reactions ͑3͒ and ͑5͒, the dominant process [15][16][17] at a collision energy below 5 eV is by far the reactions ͑1͒ or ͑2͒, especially when the internal energy of the ammonium ion is moderate ͑below 1 eV͒. Moreover, except at very low-collision energy, this reaction occurs through a direct process.…”

Section: Introductionmentioning

confidence: 99%

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Reduced dimensionality wave packet study of the NH3++H2, D2 reaction

Aguillon

Sizun

2000

The Journal of Chemical Physics

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The reaction between NH 3 ϩ and D 2 ͑or H 2 ), leading to NH 3 D ϩ ϩD ͑or NH 4 ϩ ϩH) is investigated using a quantum wave packet approach at a collision energy below 2.5 eV. The study is restricted to the collinear geometry preserving C 3v symmetry. Three degrees of freedom are explicitly treated: the reactive D-D and N-D distances, and the umbrella angle of NH 3 . The effects of the initial vibrational excitation of D 2 ͑or H 2 ) and of the umbrella motion of NH 3 ϩ are studied. The reaction probability is found to be large and to decrease with internal excitation of the reagents. The state-to-state reaction probabilities for the two isotopic variants differ qualitatively. This is related to the existence of a Fermi resonance in the geometrically constrained NH 4 ϩ ion, which does not exist in NH 3 D ϩ . The umbrella motion is found to play an active role in the reactivity at a collision energy above 1 eV.

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Section: Comparison With Other Workmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Reduced dimensionality wave packet study of the NH3++H2, D2 reaction

Aguillon

Sizun

2000

The Journal of Chemical Physics

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“…This discrepancy can be rationalized by considering that primary CO + ions may be ro-vibrationally excited. It is well known that the ro-vibrational excitation of the reactants can promote endothermic reactions [12], therefore shifting the reaction onset to lower collision energies.…”

Section: Production Of C + + Co 2 and C + + Co + Omentioning

confidence: 99%

Guided ion beam investigation of the reaction CO++CO: C–O bond activation and C–C bond formation

Tosi

Bassi

1999

The Journal of Chemical Physics

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We have investigated six different endothermic channels in the reaction of CO + ions with neutral CO. For each ionic product we have measured the kinetic energy dependence of the integral cross section and inferred the neutral products by the reaction energetics. The onset of the process producing C + , O, and CO, has been identified by a feature of the integral crosssection located at about 8.5 eV. Measurements of the product isotopic ratio suggest that C + originates from both the CO + ion and the neutral CO molecule. For the reaction channels producing C 2 + + O 2 and C 2 O + + O respectively, measurements of the reaction thresholds allow us to estimate the heats of formation of these two ionic products, ∆ f H 0 (C 2 +) = 19.8 ± 0.2 eV and ∆ f H 0 (C 2 O +) = 14.7 ± 0.2 eV. These values are in good agreement with recent independent estimations. Finally, we re-evaluated the dissociation energy of C 2 + (X 4 Σ g-), D 0 (C +-C) = 6.2 ± 0.2 eV.

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Time-Dependent, Direct, Nonadiabatic, Molecular Reaction Dynamics

Öhrn

Deumens

2007

Quantum Dynamics of Complex Molecular Systems

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State-selected studies of the reaction of NH3+ (ν1, ν2) with D2

Cited by 12 publications

References 15 publications

Reduced dimensionality wave packet study of the NH3++H2, D2 reaction

Reduced dimensionality wave packet study of the NH3++H2, D2 reaction

Guided ion beam investigation of the reaction CO++CO: C–O bond activation and C–C bond formation

Time-Dependent, Direct, Nonadiabatic, Molecular Reaction Dynamics

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