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Rotational predissociation dynamics in weakly bound molecular systems: The ArN 2 and ArO 2 examples
Author(s) -
Gianturco F. A.,
DelgadoBarrio G.,
Roncero O.,
Villarreal P.
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560320739
Subject(s) - excited state , van der waals force , dissociation (chemistry) , excitation , van der waals molecule , atomic physics , chemistry , intermolecular force , molecule , work (physics) , binding energy , potential energy , physics , quantum mechanics , organic chemistry
The nuclear physics classification of certain reaction cross sections that appear to be abnormally large for specific (usually narrow) energy ranges describes them as being due to resonance states and usually explains them by assuming that at these energies intermediate, quasistable nuclear states exist and control the whole process. In the present work we discuss very similar events in van der Waals ( VDW ) molecules, whereby a stable monomer is prepared in a state that is rotationally excited, and the excitation energy is subsequently converted into intermolecular translational energy. The process therefore results in dissociation of the complex if the excitation energy exceeds the VDW binding energy, and we discuss several convenient procedures for computing both the energies at which such rotational predissociation ( RP ) processes occur and their relative probabilities. Computational examples for the O 2 Ar and N 2 Ar systems are reported.