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Ultracold collisions of O(1 D) and H2: The effects of H2 vibrational excitation on the production of vibrationally and rotationally excited OH
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10.1063/1.4802476
/content/aip/journal/jcp/138/16/10.1063/1.4802476
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/16/10.1063/1.4802476

Figures

Image of FIG. 1.
FIG. 1.

Total reaction probability for O(1 D) + H2(v = 0 − 2, j = 0) collisions as functions of the collision energy for zero total angular momentum (J = 0).

Image of FIG. 2.
FIG. 2.

Cross sections for O(1 D) + H2(v, j = 0) collisions as functions of the incident kinetic energy in K for zero total angular momentum (J = 0). Red curve (v = 0); blue curve (v = 1); black curve (v = 2). Elastic cross sections are labeled by dotted lines, inelastic cross sections are labeled by dashed lines, whereas reactive cross sections are labeled by solid lines.

Image of FIG. 3.
FIG. 3.

Rate coefficients for O(1 D) + H2 collisions as functions of the incident kinetic energy in K for zero total angular momentum (J = 0). Red curve (v = 0); blue curve (v = 1); black curve (v = 2). Elastic rate coefficients are labeled by dotted lines, inelastic rate coefficients are labeled by dashed lines, whereas reactive rate coefficients are labeled by solid lines.

Image of FIG. 4.
FIG. 4.

Vibrational distribution of the product OH molecule in O(1 D) + H2(v = 0 − 2, j = 0) →  OH(v f ) + H reaction at four different collision energies for zero total angular momentum (J = 0). Left panel is for H2(v = 0), middle panel is for H2(v = 1), and right panel for H2(v = 2).

Image of FIG. 5.
FIG. 5.

Rotational distribution of the product OH molecule in O(1 D) + H2(v = 0, j = 0) → OH(v f , j f ) + H reaction at two different collision energies for zero total angular momentum (J = 0). The Left panel corresponds to a collision energy of 10−10 eV and the right panel corresponds to a collision energy of 0.1 eV.

Image of FIG. 6.
FIG. 6.

Same as Fig. 5 but for O(1 D) + H2(v = 1, j = 0) → OH(v f , j f ) + H reaction.

Image of FIG. 7.
FIG. 7.

Same as Fig. 5 but for O(1 D) + H2(v = 2, j = 0) → OH(v f , j f ) + H reaction.

Image of FIG. 8.
FIG. 8.

Upper panel: Comparison of O(1 D) + H2(v = 0, j = 0) reactive rate coefficients from the present study (black solid lines) with the quantum wave packet calculations of Lin and Guo 37 (black dashed lines), SQM (blue dots), and MPPST (green dashed lines) results of Rivero-Santamaría et al. 46 Experimental results are from Talukdar et al., 81 Atkinson et al., 82 and Vranckx et al. 83 Lower panel: Reactive rate coefficients for H2(v = 0) (black solid lines), H2(v = 1) (red dashed lines), and H2(v = 2) (blue dots) as functions of the temperature.

Tables

Generic image for table
Table I.

Convergence of the elastic cross section in units of 10−13 cm2 molecule−1 with the matching distance ρ m for O(1 D) + H2(v = 1, j = 0) collisions.

Generic image for table
Table II.

Convergence of the nonthermal reactive rate coefficient in units of 10−10 cm3 molecule−1 s−1 with the matching distance ρ m for O(1 D) + H2(v = 1, j = 0) collisions. v rel is the relative velocity for the collision defined as , where E kin is the relative collision energy and μ is the reduced mass of the O + H2 system.

Generic image for table
Table III.

Convergence of the nonthermal reactive rate coefficient in units of 10−10 cm3 molecule−1 s−1 with basis set size for O(1 D) + H2(v = 1, j = 0) reaction, at a matching distance ρ m = 19.61 a 0.

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/content/aip/journal/jcp/138/16/10.1063/1.4802476
2013-04-24
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ultracold collisions of O(1D) and H2: The effects of H2 vibrational excitation on the production of vibrationally and rotationally excited OH
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/16/10.1063/1.4802476
10.1063/1.4802476
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