Uncoupled Isomerization Dynamics in Phase Space

VISUALIZING UNCOUPLED ISOMERIZATION DYNAMICS IN PHASE SPACE [Pg.121]

We next make some further simplifying assumptions that will let us visualize the phase space. If we assume that the two coordinates are completely independent of one another, the total energy of the molecule E can be written as a sum of two contributions [Pg.121]

Under this assumption, energy is never transferred from the torsional motion to the vibrational motion they are truly independent, unless we introduce a third [Pg.121]

Similarly, we might assume an (anharmonic) Morse potential for the stretching coordinate, obtaining [Pg.123]

We can now try to visualize this situation in phase space. First, we make plots of Pi as a function of q-i for each of these three cases, just as we did for the harmonic oscillator, by solving Eq. [25] for pi [Pg.123]

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