Trajectory‐surface‐hopping calculations involving the three lowest‐energy 2A′ potential surfaces are reported for Na(3p2P) collisions with H2(v=0, low j) at 0.9 kcal/mol relative translational energy. In addition to the total quenching cross section, we report distributions of final translational energy, final vibrational and rotational quantum numbers, internal energy, scattering angle, and collision time for the quenching collisions. We also report the opacity function, the correlation of scattering angle with impact parameter, and separate product translational spectra for the forward and backward scattered halves of the quenched ensemble. These results provide a detailed picture of the chemical dynamics of a typical quenching system proceeding through a quasibound intermediate configuration with large ionic character.

1.
a. C. G. Mitchell and M. W. Zemansky, Resonance Radiation and Excited Atoms (Cambridge University, London, 1934).
2.
L.
Krause
,
Adv. Chem. Phys.
28
,
267
(
1975
).
3.
V.
Kempter
,
Adv. Chem. Phys.
30
,
417
(
1975
).
4.
J. H.
Barker
and
R. E.
Weston
,
J. Chem. Phys.
65
,
1427
(
1976
).
5.
S.
Lemont
and
G. W.
Flynn
,
Annu. Rev. Phys. Chem.
28
,
261
(
1977
).
6.
I. V.
Hertel
,
Adv. Chem. Phys.
45
,
341
(
1981
).
7.
P.
Botschwina
,
W.
Meyer
,
I. V.
Hertel
, and
W.
Reiland
,
J. Chem. Phys.
75
,
5438
(
1981
).
8.
J. A.
Silver
,
N. C.
Blais
, and
G. H.
Kwei
,
J. Chem. Phys.
71
,
3412
(
1979
).
9.
W.
Reiland
,
H.‐U.
Tittes
,
I. V.
Hertel
,
V.
Bonacić‐Koutecký
, and
M.
Persico
,
J. Chem. Phys.
77
,
1908
(
1982
);
W.
Reiland
,
G.
Jameison
,
U.
Tittes
, and
I. V.
Hertel
,
Z. Phys. A
307
,
51
(
1982
);
W.
Reiland
,
C. P.
Schulz
,
H.‐U.
Tittes
, and
I. V.
Hertel
,
Chem. Phys. Lett.
91
,
329
(
1982
).
10.
W.
Reiland
,
U.
Tittes
, and
I. V.
Hertel
,
Phys. Rev. Lett.
48
,
1389
(
1982
).
11.
N. C.
Blais
,
D. G.
Truhlar
, and
B. C.
Garrett
,
J. Chem. Phys.
78
,
2956
(
1983
).
12.
D. G.
Truhlar
,
J. W.
Duff
,
N. C.
Blais
,
J. C.
Tully
, and
B. C.
Garrett
,
J. Chem. Phys.
77
,
764
(
1982
). In Eq. (49), Q should be Q̇.
13.
D. L.
Bunker
and
N. C.
Blais
,
J. Chem. Phys.
41
,
2377
(
1964
);
N. C.
Blais
and
D. G.
Truhlar
,
J. Chem. Phys.
58
,
1090
(
1973
).
14.
M.
Karplus
,
R. N.
Porter
, and
R. D.
Sharma
,
J. Chem. Phys.
43
,
3259
(
1965
).
15.
J. C.
Tully
and
R. K.
Preston
,
J. Chem. Phys.
55
,
562
(
1971
).
16.
J. C. Tully, in Dynamics of Molecular Collisions, Part B, edited by W. H. Miller (Plenum, New York, 1976), p. 217.
17.
D. G. Truhlar and J. T. Muckerman, in Atom‐Molecule Collision Theory, edited by R. B. Bernstein (Plenum, New York, 1979), p. 505.
18.
N. C.
Blais
and
D. G.
Truhlar
,
J. Chem. Phys.
65
,
5335
(
1976
).
19.
C. W.
Gear
,
SIAM J. Numer. Anal. B
2
,
69
(
1964
).
20.
W. H.
Miller
and
T. F.
George
,
J. Chem. Phys.
56
,
5637
(
1972
). The first plus sign in Eq. (3.44) should be minus; this is corrected in Refs. 21 and 17.
21.
J. R.
Stine
and
J. T.
Muckerman
,
J. Chem. Phys.
65
,
3975
(
1976
).
22.
J.
Vojtik
and
R.
Polák
,
Chem. Phys.
42
,
177
(
1979
).
23.
C. A.
Mead
and
D. G.
Truhlar
,
J. Chem. Phys.
70
,
2284
(
1979
).
24.
B. L.
Earl
and
R. R.
Herm
,
J. Chem. Phys.
60
,
4568
(
1974
).
25.
D. G.
Truhlar
and
N. C.
Blais
,
J. Chem. Phys.
67
,
1532
(
1977
).
26.
N. C.
Blais
and
D. G.
Truhlar
,
J. Chem. Phys.
67
,
1540
(
1977
).
27.
W. Reiland, Ph.D. thesis, Free University of Berlin, 1982 (unpublished).
This content is only available via PDF.
You do not currently have access to this content.