The formation of highly excited H 3+ in the reaction H2 +(v) + H2 → H 3+ + H

George C Schatz, Jay K. Badenhoop, Charles W. Eaker

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9 Citations (Scopus)

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 languageEnglish
Pages (from-to)57-63
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume31
Issue number1
DOIs
Publication statusPublished - 1987

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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