CURRENT-DENSITY INVESTIGATION OF TUNNELING IN PHOTODISSOCIATION RESONANCES - CH3ONO

Citation
Sm. Miller et Mh. Alexander, CURRENT-DENSITY INVESTIGATION OF TUNNELING IN PHOTODISSOCIATION RESONANCES - CH3ONO, Chemical physics letters, 232(5-6), 1995, pp. 451-456
Citations number
23
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
232
Issue
5-6
Year of publication
1995
Pages
451 - 456
Database
ISI
SICI code
0009-2614(1995)232:5-6<451:CIOTIP>2.0.ZU;2-3
Abstract
The application is described of our recently developed current density analysis of photodissociation to the methyl nitrite (CH3ONO) system. The spectrum exhibits a series of vibrational resonances, or predissoc iating states, arising from a local minimum in the excited state poten tial surface. The degree to which tunneling through the barrier plays a role in their dissociation is investigated by means of the current d ensity at the transition state and a simple semi-classical quantizatio n model. For vibrationally excited resonances, current density maps ar e considerably complicated by the presence of vortices.