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Title: Resonances in rotationally inelastic scattering of NH{sub 3} and ND{sub 3} with H{sub 2}

We present theoretical studies on the scattering resonances in rotationally inelastic collisions of NH{sub 3} and ND{sub 3} molecules with H{sub 2} molecules. We use the quantum close-coupling method to compute state-to-state integral and differential cross sections for the NH{sub 3}/ND{sub 3}–H{sub 2} system for collision energies between 5 and 70 cm{sup −1}, using a previously reported potential energy surface [Maret et al., Mon. Not. R. Astron. Soc. 399, 425 (2009)]. We identify the resonances as shape or Feshbach resonances. To analyze these, we use an adiabatic bender model, as well as examination at the scattering wave functions and lifetimes. The strength and width of the resonance peaks suggest that they could be observed in a crossed molecular beam experiment involving a Stark-decelerated NH{sub 3} beam.
Authors:
;  [1] ; ;  [2] ;  [3] ;  [4]
  1. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2685 (United States)
  2. Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen (Netherlands)
  3. Service de Chimie Quantique et Photophysique C. P. 160/09, Université Libre de Bruxelles (ULB), 50 Ave. F. D. Roosevelt, 1050 Brussels (Belgium)
  4. Department of Chemistry and Biochemistry and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021 (United States)
Publication Date:
OSTI Identifier:
22493462
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 4; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 74 ATOMIC AND MOLECULAR PHYSICS; AMMONIA; COUPLING; DEUTERIDES; DIFFERENTIAL CROSS SECTIONS; HYDROGEN; INELASTIC SCATTERING; INTEGRAL CROSS SECTIONS; LIFETIME; MOLECULAR BEAMS; MOLECULE-MOLECULE COLLISIONS; MOLECULES; MOLYBDENUM NITRIDES; POTENTIAL ENERGY; RESONANCE; SURFACES; WAVE FUNCTIONS