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Title: Nonreactive collinear close-coupled transition probabilities for N sub 2 + O sub 2 , H sub 2 + Cl sub 2 , and O sub 2 + Cl sub 2 at 0. 5-3. 2 eV

Abstract

Close-coupled calculations have been carried out in the collinear geometry for N{sub 2} + O{sub 2} (2.0-3.2 eV), H{sub 2} + Cl{sub 2} (0.5-2.0 eV), and O{sub 2} + Cl{sub 2} (0.5-2.0 eV). The nonreactive transition probabilities reported are converged to at least three figures, even for transitions where the change in vibrational quantum number for one or both of the molecules is large or where the initial vibrational quantum numbers are large. These results greatly extend the mass ratio (or ratio of the two molecules, vibrational energy level spacings) for the two colliding species and should prove useful in assessing the accuracy of collision theory approximations.

Authors:
 [1]
  1. Univ. of Nebraska, Omaha (USA)
Publication Date:
OSTI Identifier:
5049818
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry; (USA)
Additional Journal Information:
Journal Volume: 93:5; Journal ID: ISSN 0022-3654
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 54 ENVIRONMENTAL SCIENCES; CHLORINE COMPOUNDS; MOLECULE COLLISIONS; HYDROGEN COMPOUNDS; NITROGEN COMPOUNDS; OXYGEN COMPOUNDS; ENERGY TRANSFER; ENERGY-LEVEL TRANSITIONS; EV RANGE 01-10; MATHEMATICAL MODELS; MILLI EV RANGE; QUANTUM MECHANICS; SCATTERING; THEORETICAL DATA; VIBRATIONAL STATES; COLLISIONS; DATA; ENERGY LEVELS; ENERGY RANGE; EV RANGE; EXCITED STATES; HALOGEN COMPOUNDS; INFORMATION; MECHANICS; NUMERICAL DATA; 400201* - Chemical & Physicochemical Properties; 540110

Citation Formats

Pfeffer, G A. Nonreactive collinear close-coupled transition probabilities for N sub 2 + O sub 2 , H sub 2 + Cl sub 2 , and O sub 2 + Cl sub 2 at 0. 5-3. 2 eV. United States: N. p., 1989. Web. doi:10.1021/j100342a053.
Pfeffer, G A. Nonreactive collinear close-coupled transition probabilities for N sub 2 + O sub 2 , H sub 2 + Cl sub 2 , and O sub 2 + Cl sub 2 at 0. 5-3. 2 eV. United States. https://doi.org/10.1021/j100342a053
Pfeffer, G A. 1989. "Nonreactive collinear close-coupled transition probabilities for N sub 2 + O sub 2 , H sub 2 + Cl sub 2 , and O sub 2 + Cl sub 2 at 0. 5-3. 2 eV". United States. https://doi.org/10.1021/j100342a053.
@article{osti_5049818,
title = {Nonreactive collinear close-coupled transition probabilities for N sub 2 + O sub 2 , H sub 2 + Cl sub 2 , and O sub 2 + Cl sub 2 at 0. 5-3. 2 eV},
author = {Pfeffer, G A},
abstractNote = {Close-coupled calculations have been carried out in the collinear geometry for N{sub 2} + O{sub 2} (2.0-3.2 eV), H{sub 2} + Cl{sub 2} (0.5-2.0 eV), and O{sub 2} + Cl{sub 2} (0.5-2.0 eV). The nonreactive transition probabilities reported are converged to at least three figures, even for transitions where the change in vibrational quantum number for one or both of the molecules is large or where the initial vibrational quantum numbers are large. These results greatly extend the mass ratio (or ratio of the two molecules, vibrational energy level spacings) for the two colliding species and should prove useful in assessing the accuracy of collision theory approximations.},
doi = {10.1021/j100342a053},
url = {https://www.osti.gov/biblio/5049818}, journal = {Journal of Physical Chemistry; (USA)},
issn = {0022-3654},
number = ,
volume = 93:5,
place = {United States},
year = {Thu Mar 09 00:00:00 EST 1989},
month = {Thu Mar 09 00:00:00 EST 1989}
}