A low energy quasiclassical trajectory study has been performed on three potential energy surfaces, obtained by modifying the recent ground state ab initio potential energy hypersurface by Wilhelmsson et al. for the N+(3P)+H2(1Σ+g)→NH+ (2Π)+H(2S) reaction. The importance of explicit consideration of the asymptotic ion–induced dipole and ion–quadrupole interactions in the entrance channel is demonstrated. Reaction cross sections as a function of collision energy (approximately in the range 0.06–0.4 eV in c.m.) are presented.
REFERENCES
1.
2.
3.
4.
M. A.
Gittins
, D. M.
Hirst
, and M. F.
Guest
, Faraday Discuss. Chem. Soc.
62
, 67
(1977
).5.
S. G.
Hansen
, J. M.
Farrar
, and B. H.
Mahan
, J. Chem. Phys.
73
, 3750
(1980
).6.
C. F.
Bender
, J. H.
Meadows
, and H. F.
Schaefer
III, Faraday Discuss. Chem. Soc.
62
, 59
(1977
).7.
8.
J. B.
Marquette
, B. R.
Rowe
, G.
Dupeyrat
, and E.
Roueff
, Astron. Astrophys.
147
, 115
(1985
).9.
S. E.
Barlow
, J. A.
Luine
, and G. H.
Dunn
, Int. J. Mass Spectrom. Ion Proc.
74
, 97
(1986
) (cf. Ref. 1).10.
11.
J. B.
Marquette
, C.
Rebrion
, and B. R.
Rowe
, J. Chem. Phys.
89
, 2041
(1988
).12.
13.
14.
15.
U. Wilhelmsson, P. Siegbahn, and R. Schinke (to be published).
16.
17.
18.
M.
González
, A.
Aguilar
, and Y.
Fernández
, Chem. Phys.
104
, 57
(1986
).19.
20.
M.
González
, A.
Aguilar
, and J.
Virgili
, Chem. Phys. Lett.
113
, 179
(1985
).21.
22.
23.
24.
25.
26.
G. H. F.
Diercksen
, M.
Jaszunski
, and A. J.
Sadlej
, Chem. Phys.
71
, 105
(1982
).27.
A. Hinchliffe, Ab Initio Determination of Molecular Properties (IOP, Bristol, 1987).
28.
29.
30.
D. G. Truhlar and J. T. Muckerman, in Atom-Molecule Collision Theory, edited by R. B. Bernstein (Plenum, New York, 1979).
31.
32.
G. Nyman, and U. Wilhelmsson (to be published).
33.
34.
U. Wilhelmsson and G. Nyman (unpublished results).
35.
G. Nyman J. Chem. Phys. (in press).
36.
37.
W. H.
Miller
, W. L.
Hase
, and C. L.
Darling
, J. Chem. Phys.
91
, 2863
(1989
).38.
This content is only available via PDF.
© 1992 American Institute of Physics.
1992
American Institute of Physics
You do not currently have access to this content.
