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Vibrational predissociation of highly vibrationally excited van der waals molecules: A quantal close‐coupling calculation
Author(s) -
DelgadoBarrio G.,
Villarreal P.,
Mareca P.,
Beswick J. A.
Publication year - 1985
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.560270208
Subject(s) - van der waals force , atomic physics , excited state , chemistry , excitation , molecule , coupling (piping) , rotational–vibrational coupling , physics , quantum mechanics , materials science , organic chemistry , metallurgy
In this paper we present numerical calculations of close‐coupling equations to study vibrational predissociation of the T ‐shaped He…I 2 ( B ) van der Waals molecule. In the region of high vibrational excitation of the I 2 subunit, the vibrational predissociation rates are related to the widths of the resulting resonances for the He‐I 2 ( B ) collision. We apply a reasonable approximation to calculate the necessary background S matrix, i.e., the S matrix in absence of resonances. The rates of perpendicular vibrational predissociation, as a function of the initial I 2 vibrational quantum number v 1 , show a maximum at v 1 = 58 almost in agreement with the experimental data. However, an oscillatory and very interesting behavior of the rates in the region 60 ≤ v 1 ≤ 65 is found.