Fifth Electronic Computational Chemistry Conference Paper 62.
VIBRATIONS and VRT DYNAMICS of the AMMONIA DIMER : A FURTHER ANALYSIS.


9th VIBRATION MODE.



Interchange Dynamics.




fig n°11
Geared 3D Bending Motions




This vibrational motion has not been considered in our previous work [Muguet 95B] . This interesting PES valley has escaped to our attention, because we used, at that time, only 2D graphs. Animation brings a real hindsight.
As the N-H bonds are tilted towards the N...N axis, within bending motions which feature 3D components, interchange and 1 --> 1 tunneling dynamics might be feasible along this PES pathway. As we said before, 1 --> 1 dynamics would not induce energy splittings, but would generate energy levels perturbations.
These dynamics cannot be analyzed within the framework of a first order pertubation along the two monomer umbrella degrees of freedom.







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