On multiquantum vibrational deexcitation in symmetric reactions

The efficiency of multiquantum vibrational deexcitation transitions in symmetric reactions has been investigated using quasiclassical trajectory and quantum reduced dimensionality techniques. The comparison of calculations performed for the N+N 2 reaction on two different potential energy surfaces s...

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Bibliographic Details
Published in:Chemical physics letters 1998-05, Vol.288 (5), p.616-620
Main Authors: Laganà, A, Riganelli, A, Ochoa de Aspuru, G, Garcia, E, Martinez, M.T
Format: Article
Language:English
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Summary:The efficiency of multiquantum vibrational deexcitation transitions in symmetric reactions has been investigated using quasiclassical trajectory and quantum reduced dimensionality techniques. The comparison of calculations performed for the N+N 2 reaction on two different potential energy surfaces suggests that the formation of a fairly stable intermediate complex favours multiquantum transitions. This is definitely confirmed by quantum and quasiclassical calculations performed for the O+O 2 reaction whose results show that deexcitation to several vibrational levels below the initial one is the most probable reactive process.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(98)00260-7