Third-order ion-molecule clustering reactions

“…In many cases it is essential to study reactions at temperatures appropriate to a particular application. Temperature dependences of several binary rate coefficients have been measured over the available temperature range (Lindinger et al, 1974) and rate coefficients for some ternary association reactions have been obtained at several temperatures (see, e.g., Bohme et al, 1968;Adams et al, 1970;Fehsenfeld et al, 1974; see also the review by Good, 1975). This has recently been extended up to 900 K, the practical limit for such a system (Lindinger et al, 1974).…”

Section: Some Recent Successes Of the Flowing Afterglowmentioning

confidence: 99%

Recent advances in flow tubes: Measurement of ion–molecule rate coefficients and product distributions

Smith

Adams

1979

Gas Phase Ion Chemistry

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“…A particularly interesting class of intercluster reactions, to use in a study of solvation, are association reactions such as radical-radical [25] or ion-molecule association [26]; i.e.…”

Section: Introductionmentioning

confidence: 99%

Effect of solvation on the dynamics of H + CH3 association

Hase

1992

Z Phys D - Atoms, Molecules and Clusters

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The gas phase association of CH 3 with the HAt2 cluster to form a vibrationally/rotationally excited CH* molecule is used as a model to study microscopic solvation dynamics. A potential energy surface for the reactive system is constructed from a previously fitted H + C H 3 ab initio potential and 12-6 Lennard-Jones A r -Ar, A r -C, and A r -H potentials. Classical trajectory calculations performed with the chemical dynamics computer program VENUS are used to investigate the CH3 + HAra-* CH4*+ At2 reaction dynamics. Reaction is dominated by a mechanism in which the CH 3 "strips" the H-atom from HAr2 during large impact parameter collisions. For a large initial relative translational energy the CH 3 + HAr2-+CH~'+ Ar2 cross section is the same as that for H + CH3 association, so that HAt2 acts like a "heavy" H-atom. However, at a low initial relative translational energy, the long-range A r 2 ---C H 3 attractive potential apparently makes the CH 3 + HAr2 association cross section larger than that for H + CH3. Partitioning of energy to the CH* and Ar 2 products is consistent with a stripping mechanism. The initial and final relative translational energies are nearly identical and the CH* rotational energy is controlled by the initial CH3 rotational energy. The velocity and orbital tilt scattering angles, O(v~, vs) and O(l, ll), respectively, are consistent with the stripping mechanism. On average only a small amount of the product energy is partitioned to Ar 2 vibration/rotation and C H * + Ar2 relative translation.

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Third-order ion-molecule clustering reactions

Cited by 71 publications

References 62 publications

3 Mass spectrometry of free radicals: a methodological overview

3 Mass spectrometry of free radicals: a methodological overview

Recent advances in flow tubes: Measurement of ion–molecule rate coefficients and product distributions

Effect of solvation on the dynamics of H + CH3 association

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