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

Research output: Contribution to journalArticle

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

Fingerprint

Angular momentum
angular momentum
life (durability)
internal energy
metastable state
Trajectories
trajectories
dissociation
momentum
energy
cross sections

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 journalArticle

@article{afc5d9e4536e47cb990339ef9781d590,
title = "The formation of highly excited H 3+ in the reaction H2 +(v) + H2 → H 3+ + H",
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.",
author = "Schatz, {George C} and Badenhoop, {Jay K.} and Eaker, {Charles W.}",
year = "1987",
doi = "10.1002/qua.560310107",
language = "English",
volume = "31",
pages = "57--63",
journal = "International Journal of Quantum Chemistry",
issn = "0020-7608",
publisher = "John Wiley and Sons Inc.",
number = "1",

}

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.

UR - http://www.scopus.com/inward/record.url?scp=84987111314&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84987111314&partnerID=8YFLogxK

U2 - 10.1002/qua.560310107

DO - 10.1002/qua.560310107

M3 - Article

AN - SCOPUS:84987111314

VL - 31

SP - 57

EP - 63

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 1

ER -