In:
The Journal of Chemical Physics, AIP Publishing, Vol. 81, No. 12 ( 1984-12-15), p. 5811-5818
Abstract:
Calculations on O2⋅N2 and O−2⋅N2 have been carried out to explain the large enhancement in the attachment rate of thermal electrons found in van der Waals molecules containing O2. Two geometries, T-shape and linear, are used. SCF wave functions are used to represent both the neutral molecule and the ion. The incoming electron is approximated by a plane wave. The width is determined using a shielded polarization potential. The effect of additional vibrational structures of the van der Waals molecule on the attachment process is investigated by studying the O2–N2 stretching mode using Lennard-Jones potentials. Symmetry breaking, which allows the molecule to attach a p wave electron, is shown to play a primary role. The lowering of resonance energy, due to a deeper Lennard-Jones potential of O−2⋅N2 in comparison with O2⋅N2, furthers the enhancement. The calculated attachment rate is comparable to that determined by Shimamori and Fessenden, but differs from the recent values obtained by Toriumi and Hatano, who used a different set of reactions to interpret their data.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
1984
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
Permalink