Insertion vs. abstraction in the H + H2 → H2 + H exchange reaction

I. Schechter; R. Kosloff; R. D. Levine

doi:10.1021/j100278a009

Insertion vs. abstraction in the H + H₂ → H₂ + H exchange reaction

I. Schechter, R. Kosloff, R. D. Levine^*

^*Corresponding author for this work

Research output: Contribution to journal › Review article › peer-review

16 Scopus citations

Abstract

At collision energies above 1 eV an insertion mechanism is shown to dominate in the hydrogen exchange reaction. The cone of acceptance for reaction is found to be made up of an inner cone (i.e., for more nearly collinear collisions) where exchange proceeds by abstraction and an outer spherical sector where the mechanism is by insertion. The cross section for reaction, computed by classical trajectories, declines at energies above ca. 1 eV due to a recrossing of the transition state after a collision with an inner hard core. Thus, while the barrier to insertion is higher, this mechanism dominates for such hot H atoms as are currently available from photodissociation. For the H + HD reaction with rotationally cold HD, the cone of acceptance about the D atom is significantly wider.

Original language	English
Pages (from-to)	1006-1008
Number of pages	3
Journal	Journal of Physical Chemistry
Volume	90
Issue number	6
DOIs	https://doi.org/10.1021/j100278a009
State	Published - 1986
Externally published	Yes

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title = "Insertion vs. abstraction in the H + H2 → H2 + H exchange reaction",

abstract = "At collision energies above 1 eV an insertion mechanism is shown to dominate in the hydrogen exchange reaction. The cone of acceptance for reaction is found to be made up of an inner cone (i.e., for more nearly collinear collisions) where exchange proceeds by abstraction and an outer spherical sector where the mechanism is by insertion. The cross section for reaction, computed by classical trajectories, declines at energies above ca. 1 eV due to a recrossing of the transition state after a collision with an inner hard core. Thus, while the barrier to insertion is higher, this mechanism dominates for such hot H atoms as are currently available from photodissociation. For the H + HD reaction with rotationally cold HD, the cone of acceptance about the D atom is significantly wider.",

author = "I. Schechter and R. Kosloff and Levine, {R. D.}",

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T1 - Insertion vs. abstraction in the H + H2 → H2 + H exchange reaction

AU - Schechter, I.

AU - Kosloff, R.

AU - Levine, R. D.

PY - 1986

Y1 - 1986

N2 - At collision energies above 1 eV an insertion mechanism is shown to dominate in the hydrogen exchange reaction. The cone of acceptance for reaction is found to be made up of an inner cone (i.e., for more nearly collinear collisions) where exchange proceeds by abstraction and an outer spherical sector where the mechanism is by insertion. The cross section for reaction, computed by classical trajectories, declines at energies above ca. 1 eV due to a recrossing of the transition state after a collision with an inner hard core. Thus, while the barrier to insertion is higher, this mechanism dominates for such hot H atoms as are currently available from photodissociation. For the H + HD reaction with rotationally cold HD, the cone of acceptance about the D atom is significantly wider.

AB - At collision energies above 1 eV an insertion mechanism is shown to dominate in the hydrogen exchange reaction. The cone of acceptance for reaction is found to be made up of an inner cone (i.e., for more nearly collinear collisions) where exchange proceeds by abstraction and an outer spherical sector where the mechanism is by insertion. The cross section for reaction, computed by classical trajectories, declines at energies above ca. 1 eV due to a recrossing of the transition state after a collision with an inner hard core. Thus, while the barrier to insertion is higher, this mechanism dominates for such hot H atoms as are currently available from photodissociation. For the H + HD reaction with rotationally cold HD, the cone of acceptance about the D atom is significantly wider.

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M3 - 文献综述

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JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 6

ER -

Insertion vs. abstraction in the H + H₂ → H₂ + H exchange reaction

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