The formation of highly excited H in the reaction H 2 + ( v ) + H 2 → H + H

A quasiclassical trajectory surface hopping method has been used to study H ( v ) + H 2 → H + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the H internal energy and angular momentum distributions for high v . For v = 13 and 17, significant cross sections are found for producing...

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Veröffentlicht in:International journal of quantum chemistry 1987-01, Vol.31 (1), p.57-63
Hauptverfasser: Schatz, George C., Badenhoop, Jay K., Eaker, Charles W.
Format: Artikel
Sprache:eng
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Zusammenfassung:A quasiclassical trajectory surface hopping method has been used to study H ( v ) + H 2 → H + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the H internal energy and angular momentum distributions for high v . For v = 13 and 17, significant cross sections are found for producing H at energies above its dissociation energy. An average metastable H 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 , but other sources of metastability are also present.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.560310107