SEMIQUANTAL MODELING OF THERMAL VIBRATIONAL-RELAXATION OF DIATOMIC-MOLECULES

Citation
Rj. Bieniek et Sj. Lipson, SEMIQUANTAL MODELING OF THERMAL VIBRATIONAL-RELAXATION OF DIATOMIC-MOLECULES, Chemical physics letters, 263(1-2), 1996, pp. 276-282
Citations number
29
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
263
Issue
1-2
Year of publication
1996
Pages
276 - 282
Database
ISI
SICI code
0009-2614(1996)263:1-2<276:SMOTVO>2.0.ZU;2-R
Abstract
Vibrationally excited molecules play an important role in the spectros copy, energetics, and chemical behavior of a wide range of gaseous sys tems of scientific and applied interest. Unfortunately, many desired c ollisional relaxation rates have not yet been experimentally measured, and current theoretical methods are often inadequate or too cumbersom e for practical application. We report a semiquantal two-parameter sca ling method for predicting relaxation rates that is very simple to emp loy, and impressively fits the temperature and vibrational dependencie s of quantum mechanical and experimental collisional relaxation rates for several diatonic molecules (e.g., N-2, HF, OH, NO) over many order s of magnitude.