Collision-induced energy transfer in p-difluorobenzene by light atoms: a wave-packet scattering calculation

✍ Scribed by Huadong Gai; Donald L. Thompson

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 372 KB
• Volume: 191
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)85406-z

✦ Synopsis

The collisional excitation and relaxation of para-difluorobenzene (p-DFB) by light atoms have been studied by a wave-packet scattering method. In our model the light atom is represented by a two-dimensional wave packet and the vibrations of p-DFB molecule are treated classically. We found that the V3o mode, which is the mode with the lowest vibrational frequency and one which involves an out-of-plane motion of the fluorine atoms, is most easily excited or relaxed in the collisions. This is in agreement with the experimental and other theoretical results. This study shows that this combined trajectory/wave-packet approach can be used to treat intermolecular energy transfer in collisions of atoms with polyatomic molecules.