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.
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 .
Dissociation coordinate for the ground and first excited electronic states of . Points at are the experimental and ab initio dissociation asymptotes.
Integral cross section for CID of with Xe plotted against total energy .
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.
Comparison of (scaled) trajectory and experimental cross sections for CID cross section at .
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.
(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.
(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.
potential energy surfaces for and , plotted so that the difference between two surface minima equals the CT endothermicity between and Kr.
Fitted CID thresholds (eV) for the CID cross sections.
Comparison of experimental results with results of dissociative trajectories.
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