ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A quasiclassical trajectory surface hopping method has been used to study H2+(v) + H2 → H3+ + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the H3+ internal energy and angular momentum distributions for high v. For v = 13 and 17, significant cross sections are found for producing H3+ at energies above its dissociation energy. An average metastable H3+ 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 H3+, but other sources of metastability are also present.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560310107
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