| Autor: |
Spears, L. Gene, Hutchinson, John S. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 1/1/1988, Vol. 88 Issue 1, p250, 10p |
| Abstrakt: |
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] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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