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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 23, Number 2
BKCSDE 23(2)
February 20, 2002 

Vibrational Structure and Predissociation of Ar-CO2 by CO2 Symmetric Stretching Mode Coupled with Ar Motion
Jaehoon Jung, Hosung Sun
Vibrational structure, Predissociation, Ar-CO2.
The computationally simple quantum mechanical method (VSCF-DWB-IOS) has been applied to studying the Ar-CO2 vibrational predissociation phenomenon. The new methodology utilizes the vibrational self-consistent field method to determine the vibrational structure of the van der Waals complex, the distorted-wave Born approximation for dissociating process, and the infinite-order sudden approximation for the continuum dissociating product of CO2. The dissociation due to the coupling of the symmetric stretching vibrational motion of CO2 with the motion of the Ar van der Waals mode has been extensively investigated. The lifetimes of transient excited vibrational states, linewidths of absorption peak, and the rotational state distributions of the product, CO2 have been computed. It has been found that the lifetime of the Ar-CO2 in excited vibrational state is very long compared with that of triatomic van der Waals complexes and the product CO2 carries a major portion of dissociation energy as a rotational energy.
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