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

Journal Article · Fri Dec 15 00:00:00 EST 2006 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.74.062715· OSTI ID:20976486

Li, Yao ^[1]; Liping, Ju; Keli, Han ^[1]; Tianshu, Chu ^[1]

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1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

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.

• OSTI ID: 20976486
• Journal Information: Physical Review. A, Vol. 74, Issue 6; Other Information: DOI: 10.1103/PhysRevA.74.062715; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

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