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Nuclear spin dependence of the reaction of with H2. I. Kinetics and modeling
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10.1063/1.3587245
/content/aip/journal/jcp/134/19/10.1063/1.3587245
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/19/10.1063/1.3587245

Figures

Image of FIG. 1.
FIG. 1.

The two-body high temperature model [Eq. (17)] for values of α ranging from 0 (purple, horizontal) to ∞ (red, steepest slope).

Image of FIG. 2.
FIG. 2.

The three-body high temperature model [Eq. (19)] for various values of Φ2, α2, and α3. For reference, the gray dotted lines are the two-body high temperature model [Eq. (17)] for α = {0, 0.5, 2.0, ∞} from shallowest to steepest slope.

Image of FIG. 3.
FIG. 3.

Low temperature model [Eq. (20)] results for a variety of temperatures and branching fractions. The gray dotted lines are the two-body high temperature model [Eq. (17)] for α = {0, 0.5, 2.0, ∞} from shallowest to steepest slope.

Tables

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Table I.

Total nuclear spin statistical weights for the + H2 reaction (see Ref. 10). The table rows correspond to the nuclear spin configuration of reactant (,H2) pairs, and the table columns correspond to the product pairs.

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Table II.

Mechanism-specific nuclear spin branching fractions for the formation of o- and p- from the + H2 reaction with the (,H2) reactant nuclear spin configurations.

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Table III.

As Table I, for the + H2 reaction.

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Table IV.

Values of g pI for product pair p and intermediate angular momentum representation .

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Table V.

Angular momentum substates for each I 5 state of .

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Table VI.

Mechanism-specific cumulative nuclear spin modification probabilities for .

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Table VII.

Fractional spin product outcomes of the + H2 reaction.

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Table VIII.

Reactions and rates used in the three-body high temperature model. The nuclear spin dependence of each reaction is not listed explicitly here. The final reaction is written so as to only allow for ()* to undergo at most one collision with H2. The superscript L refers to a Langevin rate coefficient, and the superscript u refers to a unimolecular dissociation rate coefficient.

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Table IX.

Branching fractions for the spin configuration of ()* formed in collisions of and H2.

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Table X.

Branching fractions for the spin configuration of formed upon dissociation of ()*.

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Table XI.

Mechanism-specific nuclear spin branching fractions for resulting from the three-body reaction + 2H2. Reactant is the H2 that collides with ()*.

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/content/aip/journal/jcp/134/19/10.1063/1.3587245
2011-05-19
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Nuclear spin dependence of the reaction of H3+ with H2. I. Kinetics and modeling
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/19/10.1063/1.3587245
10.1063/1.3587245
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