Energy transfer between azulene and krypton: comparison between experiment and computation

Trajectory calculations of collisional energy transfer between excited azulene and Kr are reported, and the results are compared with recent crossed molecular beam experiments by Liu et al. [J. Chem. Phys. 123, 131102 (2005); 124, 054302 (2006)]. Average energy transfer quantities are reported and c...

Full description

Saved in:
Bibliographic Details
Published in:The Journal of chemical physics 2006-10, Vol.125 (13), p.133105-133105
Main Authors: Bernshtein, V, Oref, I
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Trajectory calculations of collisional energy transfer between excited azulene and Kr are reported, and the results are compared with recent crossed molecular beam experiments by Liu et al. [J. Chem. Phys. 123, 131102 (2005); 124, 054302 (2006)]. Average energy transfer quantities are reported and compared with results obtained before for azulene-Ar collisions. A collisional energy transfer probability density function P(E,E'), calculated at identical initial conditions as experiments, shows a peak at the up-collision branch of P(E,E') at low initial relative translational energy. This peak is absent at higher relative translational energies. There is a supercollision tail at the down-collision side of the probability distribution. Various intermolecular potentials are used and compared. There is broad agreement between experiment and computation, but there are some differences as well.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2207608