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The effects of collision energy, vibrational mode, and vibrational angular momentum on energy transfer and dissociation in –rare gas collisions: An experimental and trajectory study
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10.1063/1.2229207
/content/aip/journal/jcp/125/13/10.1063/1.2229207
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/13/10.1063/1.2229207

Figures

Image of FIG. 1.
FIG. 1.

Integral cross sections for CID of in different initial vibrational states. Labeled vertical lines indicate asymptotic energies for production of in concert with different O atom states. Points are experimental data, and smooth curves are fits as discussed in the text.

Image of FIG. 2.
FIG. 2.

Experimental and trajectory axial velocity distributions for product ions at selected collision energies. Vertical lines indicate the velocity of the center of mass in the laboratory frame .

Image of FIG. 3.
FIG. 3.

Dissociation coordinate for the ground and first excited electronic states of . Points at are the experimental and ab initio dissociation asymptotes.

Image of FIG. 4.
FIG. 4.

Integral cross section for CID of with Xe plotted against total energy .

Image of FIG. 5.
FIG. 5.

Representative trajectories for with Kr:(a) nonreactive, (b) direct-concerted dissociation, and (c) sequential dissociation. The top frame in each set shows variations in bond lengths, including , , , , and , as appropriate. The bottom frames show the variation in potential energy (PE) and in Kr Mulliken charge during the trajectory. The structures show the geometry of the collision complex at the point of maximum Kr charge.

Image of FIG. 6.
FIG. 6.

Comparison of (scaled) trajectory and experimental cross sections for CID cross section at .

Image of FIG. 7.
FIG. 7.

Scattered vibrational energy distribution following collision with Kr at various impact parameters for different collision energies and vibrational states. For dissociative trajectories, was taken as the sum of and the dissociation energy. The arrow indicates the threshold energy for CID.

Image of FIG. 8.
FIG. 8.

(a) Probability of being bent in different ranges of (the angle between Kr and the NO bond that is closer to Kr) at the collision point. (b) Dissociation probability for as a function of the value of at the collision point. (c) Contribution of each range to the dissociation cross section.

Image of FIG. 9.
FIG. 9.

(a) Probability of having different ranges of NO stretching distortion at its collision point with Kr. (b) Dissociation probability for as a function of (the sum of the two NO bond lengths at the collision point). (c) Contribution of each range to the dissociation cross section.

Image of FIG. 10.
FIG. 10.

potential energy surfaces for and , plotted so that the difference between two surface minima equals the CT endothermicity between and Kr.

Tables

Generic image for table
Table I.

Fitted CID thresholds (eV) for the CID cross sections.

Generic image for table
Table II.

Comparison of experimental results with results of dissociative trajectories.

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/content/aip/journal/jcp/125/13/10.1063/1.2229207
2006-10-04
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The effects of collision energy, vibrational mode, and vibrational angular momentum on energy transfer and dissociation in NO2+–rare gas collisions: An experimental and trajectory study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/13/10.1063/1.2229207
10.1063/1.2229207
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