How a collision complex forgets its origin: H3 +

Brass, Otto; Schlier, Ch.

doi:10.1039/ft9938901533

Cited by 14 publications

(10 citation statements)

References 10 publications

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“…8a), where one would expect prevailing long-lived intermediate formation, there is also a deviation between the model and experimental data. [33] and [34] demonstrate that the assumption of a limited J max even at this low energy is not unreasonable. 8a, dot-dash and dot-dot curves).…”

Section: Discussionmentioning

confidence: 99%

Crossed Beam Scattering Studies of the Dynamics of the Reaction NH+(D2; H,D) NHD+, ND2+

Wittemann¹,

Sadı́lek²,

Polach³

et al. 2001

Zeitschrift Für Physikalische Chemie

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The dynamics of formation of NHD + and ND 2 + in reaction between NH + and D 2 was investigated over the collision energy range of 0.5-3.0 eV (c.m.) using two different scattering machines. Scattering data show, in good agreement, formation of an intermediate complex NHD 2 + in this reaction. Decreasing forward-backward symmetry of the scattering pattern, and changes in the c.m. angular distribution over the investigated collision energy range indicate that the dominant reaction path goes via the excited state of the intermediate NHD 2 + ( 1 A ), bound with respect to the reactants by about 4 eV. Low-energy parts and positions of maxima of the distributions of product relative translational energy are predicted well by the Klots model of translational energy release in statistical complex decomposition at collision energies 0.5 eV and 1.3 eV.

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Section: Discussionmentioning

confidence: 99%

Crossed Beam Scattering Studies of the Dynamics of the Reaction NH+(D2; H,D) NHD+, ND2+

Wittemann¹,

Sadı́lek²,

Polach³

et al. 2001

Zeitschrift Für Physikalische Chemie

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“…A fundamental dynamical assumption underlying conventional statistical theories of reaction rates and selectivities is the existence of intramolecular vibrational energy redistribution (IVR) that is rapid compared to the rate of reaction/isomerization [42][43][44][45][46]. Such rapid IVR leads to a 'loss of memory' of particular initial conditions [47]. Although the TST and RRKM models were developed as methods to describe the kinetics of elementary (single-step) unimolecular reactions, the assumption of rapid IVR would appear to justify their application to multi-step reactions.…”

Section: Ch 7)mentioning

confidence: 99%

Nonstatistical dynamics on the caldera

Collins

Kramer

Carpenter

et al. 2014

The Journal of Chemical Physics

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We explore both classical and quantum dynamics of a model potential exhibiting a caldera: that is, a shallow potential well with two pairs of symmetry related index one saddles associated with entrance/exit channels. Classical trajectory simulations at several different energies confirm the existence of the "dynamical matching" phenomenon originally proposed by Carpenter, where the momentum direction associated with an incoming trajectory initiated at a high energy saddle point determines to a considerable extent the outcome of the reaction (passage through the diametrically opposing exit channel). By studying a "stretched" version of the caldera model, we have uncovered a generalized dynamical matching: bundles of trajectories can reflect off a hard potential wall so as to end up exiting predominantly through the transition state opposite the reflection point. We also investigate the effects of dissipation on the classical dynamics. In addition to classical trajectory studies, we examine the dynamics of quantum wave packets on the caldera potential (stretched and unstretched). These computations reveal a quantum mechanical analogue of the "dynamical matching" phenomenon, where the initial expectation value of the momentum direction for the wave packet determines the exit channel through which most of the probability density passes to product.

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“…Early measurements of the apparent binary rate coefficient k * using drift-tube mass spectrometer apparatus [118,119] or ring-electrode ion trap techniques [120,121] [120,121]. The definition of such an "osculating" complex and the calculation of its lifetime has been connected to different statistical considerations such as the intramolecular energy redistributions required to completely forget the origin after its formation [120,123,124].…”

Section: Association and Dissociative Recombinationmentioning

confidence: 99%

The H⁺+ H₂reaction

González‐Lezana

Honvault

2014

International Reviews in Physical Chemistry

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H + 3 plays a crucial role in Astrophysics, taking part in the early chemistry responsible for the formation of the stars. It is also one of the most abundant ionic species in hydrogen plasmas. The spectroscopy of the system has been the subject of intensive work in the past. Association processes to form H + 3 and dissociative recombination with electrons have been also investigated in detail in order to understand the observed abundance of the molecule in the interstellar medium. Besides all these questions, in this work, we review some of the most relevant aspects regarding the dynamics of the H + +H 2 reaction and its isotopic variants. A discussion on the most commonly found numerical difficulties in the theoretical study of this reactive collision is included.

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How a collision complex forgets its origin: H3 +

Cited by 14 publications

References 10 publications

Crossed Beam Scattering Studies of the Dynamics of the Reaction NH+(D2; H,D) NHD+, ND2+

Crossed Beam Scattering Studies of the Dynamics of the Reaction NH+(D2; H,D) NHD+, ND2+

Nonstatistical dynamics on the caldera

The H⁺+ H₂reaction

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How a collision complex forgets its origin: H3 +

Cited by 14 publications

References 10 publications

Crossed Beam Scattering Studies of the Dynamics of the Reaction NH+(D2; H,D) NHD+, ND2+

Crossed Beam Scattering Studies of the Dynamics of the Reaction NH+(D2; H,D) NHD+, ND2+

Nonstatistical dynamics on the caldera

The H+ + H2reaction

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The H⁺+ H₂reaction