Vibrational-rotational energy transfer in H-2-H-2 collisions: III. Ortho-ortho collisions

Citation
Va. Zenevich et al., Vibrational-rotational energy transfer in H-2-H-2 collisions: III. Ortho-ortho collisions, MOLEC PHYS, 98(21), 2000, pp. 1691-1695
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
98
Issue
21
Year of publication
2000
Pages
1691 - 1695
Database
ISI
SICI code
0026-8976(200011)98:21<1691:VETIHC>2.0.ZU;2-O
Abstract
A recently proposed [1999, J. chem. Phys., 111, 2401 and 1999, Chem. Phys. Lett., 312, 530] new semi-classical decoupling procedure for rotational pro jection states in ro-vibrationally inelastic atom-diatom and diatom-diatom collisions is applied to inelastic collisions in molecular hydrogen. The ro le of initial rotational excitation of both collision partners in the ro-vi brational transitions, attached to the vibrational (10 --> 00) transition i n ortho-H-2, is analysed in detail. The computed vibrational self-relaxatio n rate constant for ortho-H-2 (as earlier for para-H-2, too) is in good qua ntitative agreement (within a factor of 2) with experimental data over the whole experimentally investigated temperature range, 50-3000 K. This also i ndicates that the more detailed (non-measured) rate constants for ro-vibrat ional state-to-state transitions in molecular hydrogen, calculated by our n ew model, are sufficiently accurate for astrophysical applications.