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Title: Time-dependent wave-packet quantum scattering study of the reactions D{sup -}+H{sub 2}{yields}H{sup -}+HD and H{sup -}+D{sub 2}{yields}D{sup -}+HD

The cross sections of the title reactions were calculated as functions of collision energy in the range 0.2-2.4 eV on a potential energy surface of Panda and Sathyamurthy [J. Chem. Phys. 121, 9343 (2004)]. The calculated results with the Coriolis coupled method were found to be more consistent with the experimental ones than the centrifugal sudden approximation, thus suggesting that Coriolis coupling plays an important role in those reactions. A pronounced isotopic effect was also revealed and attributed to the significant difference of the effective potential barrier height in both reactions.
Authors:
 [1] ;  [2] ; ;  [1] ;  [1] ;  [2]
  1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)
  2. (China)
Publication Date:
OSTI Identifier:
20976486
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 74; Journal Issue: 6; Other Information: DOI: 10.1103/PhysRevA.74.062715; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ANIONS; CHARGE EXCHANGE; COUPLING; CROSS SECTIONS; DEUTERIUM; DEUTERIUM IONS; EV RANGE; HYDROGEN; HYDROGEN IONS 1 PLUS; ION-MOLECULE COLLISIONS; MOLECULES; REACTION KINETICS; SCATTERING; SUDDEN APPROXIMATION; TIME DEPENDENCE; WAVE PACKETS