Reaction dynamics from orbital alignment dependence and angular distributions of ions produced in collision of Ba( sup 1 P ) with NO sub 2 and O sub 3

Suits, A G; Hou, H; Davis, H F; Lee, Y T

doi:10.1063/1.462026

Title: Reaction dynamics from orbital alignment dependence and angular distributions of ions produced in collision of Ba( sup 1 P ) with NO sub 2 and O sub 3

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Abstract

Angular distributions, orbital alignment dependence, and energy dependence of the relative cross sections of various ions produced in crossed beams collisions of electronically excited barium with O{sub 3} and NO{sub 2} were used to explore the dynamics of these reactions. The Ba{sup +} product from both reactions showed strong dependence on alignment of the Ba({sup 1}{ital P}) {ital p} orbital with respect to the relative velocity vector. The Ba{sup +} was generally forward or forward-sideways scattered, with the latter favored by the dominant perpendicular orbital alignment. Similar results for Ba{sup +} from both O{sub 3} and NO{sub 2} suggest that electron transfer is favored for large impact parameter collisions in which the Ba {ital p} orbital is directed toward the molecule at the critical configuration, regardless of the symmetry of the available orbital in the isolated molecule. BaO{sup +}{sub 2} from the O{sub 3} reaction exhibited angular distributions and energy dependences which were reminiscent of the Ba{sup +}, albeit 2 orders of magnitude lower in intensity, indicating a close relationship between these two channels. Important differences in the dynamics for the BaO{sup +} channel were suggested in the angular distributions, which show a substantial backscattered component, as well as themore »« less

Authors:

Suits, A G; Hou, H; Davis, H F; Lee, Y T ^[1]

Chemical Sciences Division, Lawrence Berkeley Laboratory and Department of Chemistry, University of California, Berkeley, California 94720 (United States)

Publication Date:: Sat Feb 15 00:00:00 EST 1992

OSTI Identifier:: 5021873

DOE Contract Number:: AC03-76SF00098

Resource Type:: Journal Article

Journal Name:: Journal of Chemical Physics; (United States)

Additional Journal Information:: Journal Volume: 96:4; Journal ID: ISSN 0021-9606

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BARIUM; CHEMICAL REACTION KINETICS; BARIUM IONS; PRODUCTION; NITROGEN DIOXIDE; OXYGEN; ALIGNMENT; ANGULAR DISTRIBUTION; ATOM-MOLECULE COLLISIONS; AUTOIONIZATION; CATIONS; COLLIDING BEAMS; CONFIGURATION; CROSS SECTIONS; ELECTRON EXCHANGE; ENERGY DEPENDENCE; EXCITED STATES; IONS; MOLECULAR BEAMS; SYMMETRY; VECTORS; VELOCITY; VIBRATIONAL STATES; ALKALINE EARTH METALS; ATOM COLLISIONS; BEAMS; CHALCOGENIDES; CHARGED PARTICLES; COLLISIONS; DISTRIBUTION; ELECTRON TRANSFER; ELEMENTS; ENERGY LEVELS; IONIZATION; KINETICS; METALS; MOLECULE COLLISIONS; NITROGEN COMPOUNDS; NITROGEN OXIDES; NONMETALS; OXIDES; OXYGEN COMPOUNDS; REACTION KINETICS; TENSORS; 400201* - Chemical & Physicochemical Properties

Citation Formats


                    Suits, A G, Hou, H, Davis, H F, and Lee, Y T. Reaction dynamics from orbital alignment dependence and angular distributions of ions produced in collision of Ba( sup 1 P ) with NO sub 2 and O sub 3.  United States: N. p., 1992. 
        Web.  doi:10.1063/1.462026.

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                    Suits, A G, Hou, H, Davis, H F, & Lee, Y T. Reaction dynamics from orbital alignment dependence and angular distributions of ions produced in collision of Ba( sup 1 P ) with NO sub 2 and O sub 3.  United States.  https://doi.org/10.1063/1.462026

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                    Suits, A G, Hou, H, Davis, H F, and Lee, Y T. 1992.  
        "Reaction dynamics from orbital alignment dependence and angular distributions of ions produced in collision of Ba( sup 1 P ) with NO sub 2 and O sub 3".  United States.  https://doi.org/10.1063/1.462026.

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@article{osti_5021873,

  title        = {Reaction dynamics from orbital alignment dependence and angular distributions of ions produced in collision of Ba( sup 1 P ) with NO sub 2 and O sub 3},

  author       = {Suits, A G and Hou, H and Davis, H F and Lee, Y T},

  abstractNote = {Angular distributions, orbital alignment dependence, and energy dependence of the relative cross sections of various ions produced in crossed beams collisions of electronically excited barium with O{sub 3} and NO{sub 2} were used to explore the dynamics of these reactions. The Ba{sup +} product from both reactions showed strong dependence on alignment of the Ba({sup 1}{ital P}) {ital p} orbital with respect to the relative velocity vector. The Ba{sup +} was generally forward or forward-sideways scattered, with the latter favored by the dominant perpendicular orbital alignment. Similar results for Ba{sup +} from both O{sub 3} and NO{sub 2} suggest that electron transfer is favored for large impact parameter collisions in which the Ba {ital p} orbital is directed toward the molecule at the critical configuration, regardless of the symmetry of the available orbital in the isolated molecule. BaO{sup +}{sub 2} from the O{sub 3} reaction exhibited angular distributions and energy dependences which were reminiscent of the Ba{sup +}, albeit 2 orders of magnitude lower in intensity, indicating a close relationship between these two channels. Important differences in the dynamics for the BaO{sup +} channel were suggested in the angular distributions, which show a substantial backscattered component, as well as the alignment effects and energy dependence. These indicate that the BaO{sup +} probably derives from neutral BaO* which is sufficiently internally excited to undergo vibrational autoionization.},

  doi          = {10.1063/1.462026},

  url          = {https://www.osti.gov/biblio/5021873},
  journal      = {Journal of Chemical Physics; (United States)},

  issn         = {0021-9606},

  number       = ,

  volume       = 96:4,

  place        = {United States},

  year         = {Sat Feb 15 00:00:00 EST 1992},

  month        = {Sat Feb 15 00:00:00 EST 1992}

}

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