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J Phys Chem A ; 124(37): 7373-7379, 2020 Sep 17.
Artigo em Inglês | MEDLINE | ID: mdl-32835478

RESUMO

We report level-resolved rate coefficients for collision-induced rotational energy transfer in the 7Li2*-Ne system, with 7Li2* in the highly electronically excited E(3)1Σg+(vi = 4, ji = 31) and F(4)1Σg+(vi = 10, ji = 31) states. The distributions of rate coefficients are strikingly different from those previously measured for the A(1)1Σu+(vi = 2-24, ji = 30) state of the same molecule, falling off much more rapidly with increasing rotational quantum number change |Δj|. The reason for the difference was explored by means of an inverse Monte Carlo approach employing classical trajectories and a model potential, which was adjusted to give agreement with experiment. The modeling strongly suggests that the E and F state interaction potentials are much more nearly isotropic than that of the A state. The resulting dramatic reduction in rate coefficient, especially for large |Δj|, may be relevant in the relaxation of gases at high temperatures.

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