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Classical dynamics of an internal Coriolis-induced isomerization of trans-diimide.
- Source :
-
Journal of Chemical Physics . 1/1/1988, Vol. 88 Issue 1, p250. 10p. - Publication Year :
- 1988
-
Abstract
- The isomerization dynamics of a model of vibrationally excited trans-diimide are reported. Energy transfer into the torsional reaction coordinate does not proceed through the resonance processes described in a companion paper. Rather, a Coriolis coupling of the NH stretches to the torsion dominates the reaction when appropriate relative phase relationships are satisfied. Large amounts of energy can be transferred in this process; thus isomerization is observed in as few as three NH stretching periods. Furthermore, the phase relationships appropriate for isomerization are very restrictive, so that a surprisingly well defined average behavior exists for several vibrational periods both prior to and after the reactive event. We have identified a specific dynamic mechanism responsible for trans/cis isomerization and for trapping the reactive trajectories in the cis-configuration. Despite the complexity of this six degrees of freedom model system, the reactive dynamics can be described in a simple manner. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ISOMERIZATION
*EXCITED state chemistry
*IMIDES
*ENERGY transfer
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 88
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7608011
- Full Text :
- https://doi.org/10.1063/1.454651