Abstract
A quasiclassical trajectory surface hopping method has been used to study H 2+(v) + H2 → H 3+ + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the H 3+ internal energy and angular momentum distributions for high v. For v = 13 and 17, significant cross sections are found for producing H 3+ at energies above its dissociation energy. An average metastable H 3+ lifetime of 11.5 ps for v = 13 and 4.7 ps for v = 17 is found, but there is also a much longer lived component to the lifetime distributions that is more important for v = 13 than for v = 17. Some of the longer lived metastables correspond to high angular momentum orbiting states of H 3+, but other sources of metastability are also present.
| Original language | English |
|---|---|
| Pages (from-to) | 57-63 |
| Number of pages | 7 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 31 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 1987 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry
Cite this
The formation of highly excited H 3+ in the reaction H2 +(v) + H2 → H 3+ + H. / Schatz, George C; Badenhoop, Jay K.; Eaker, Charles W.
In: International Journal of Quantum Chemistry, Vol. 31, No. 1, 1987, p. 57-63.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The formation of highly excited H 3+ in the reaction H2 +(v) + H2 → H 3+ + H
AU - Schatz, George C
AU - Badenhoop, Jay K.
AU - Eaker, Charles W.
PY - 1987
Y1 - 1987
N2 - A quasiclassical trajectory surface hopping method has been used to study H 2+(v) + H2 → H 3+ + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the H 3+ internal energy and angular momentum distributions for high v. For v = 13 and 17, significant cross sections are found for producing H 3+ at energies above its dissociation energy. An average metastable H 3+ lifetime of 11.5 ps for v = 13 and 4.7 ps for v = 17 is found, but there is also a much longer lived component to the lifetime distributions that is more important for v = 13 than for v = 17. Some of the longer lived metastables correspond to high angular momentum orbiting states of H 3+, but other sources of metastability are also present.
AB - A quasiclassical trajectory surface hopping method has been used to study H 2+(v) + H2 → H 3+ + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the H 3+ internal energy and angular momentum distributions for high v. For v = 13 and 17, significant cross sections are found for producing H 3+ at energies above its dissociation energy. An average metastable H 3+ lifetime of 11.5 ps for v = 13 and 4.7 ps for v = 17 is found, but there is also a much longer lived component to the lifetime distributions that is more important for v = 13 than for v = 17. Some of the longer lived metastables correspond to high angular momentum orbiting states of H 3+, but other sources of metastability are also present.
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U2 - 10.1002/qua.560310107
DO - 10.1002/qua.560310107
M3 - Article
VL - 31
SP - 57
EP - 63
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - 1
ER -