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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 12, Number 4
BKCSDE 12(4)
April 20, 1991 

Effects of van der Waals Bonding on the Collisional Dissociation of a Highly Excited Chemical Bond
Yoo Hang Kim, Hyung Kyu Shin
Dissociation of a highly excited diatomic molecule in the Ar + Ar…O2 and Ar + O2 collisions is studied using trajectory dynamics procedures in the collision energy range of 0.050 to 1.0 eV. Between 0.050 and 0.2 eV, dissociation probabilities are very large for the complexed system compared to the uncomplexed system. This efficient dissociation of O2 in Ar…O2 is attributed to the ready flow of energy from the incident atom to the large-amplitude vibrational motion of the excited O2 via the van der Waals bond. Thermal-averaged dissociation probabilites of O2 in Ar + Ar…O2 near room temperature are nearly two orders of magnitude larger than those of O2 in Ar + O2.
397 - 403
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