Publikace ÚTF

Interaction of O− and H2 at low temperatures

Jusko, P.; Roučka, Š.; Mulin, D.; Zymak, I.; Plašil, R.; Gerlich, D.; Čížek, M.; Houfek, K.; Glosík, J.

Reactive collisions between O− and H2 have been studied experimentally at temperatures ranging
from 10 K to 300 K using a cryogenic radiofrequency 22-pole ion trap. The rate coefficients for
associative detachment, leading to H2O + e−, increase with decreasing temperature and reach a flat
maximum of 1.8 × 10−9 cm3 s−1 at temperatures between 20 K and 80 K. There, the overall reaction
probability is in good agreement with a capture model indicating efficient non-adiabatic couplings
between the entrance potential energy surfaces. Classical trajectory calculations on newly calculated
potential energy surfaces as well as the topology of the conical intersection seam leading to the
neutral surface corroborate this. The formation of OH− + H via hydrogen transfer, although occurring
with a probability of a few percent only (about 5 × 10−11 cm3 s−1 at temperatures 10–300 K),
indicates that there are reaction paths, where electron detachment is avoided.
typ:article
journal:Journal of Chemical Physics
volume:142
pages:014304
year:2015
files:
j.chem.phys 142, 014304.pdf (783.66 kB)

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