• Journal of the Korean Chemical Society
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• v.62 no.5
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• pp.412-416
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• 2018

• Journal of the Korean Chemical Society
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• v.60 no.6
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• pp.462-466
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• 2016

• Journal of the Korean Chemical Society
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• v.18 no.1
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• pp.12-24
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• 1974

The importance of rotational transitions in the vibrational deexcitation of HF(1${\rightarrow}$0) in HF+Ar collisions has been investigated by a semiclassical three-dimensional approach. Because of the inclusion of rotational transitions, this study gives vibrational transition probabilities which are very large compared to results of conventional vibration-to-translation energy transfer theories. Currently available experimental studies suggest that this effect is important and has to be included in rigorous calculations.

• Bulletin of the Korean Chemical Society
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• v.27 no.10
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• pp.1641-1647
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• 2006

Vibrational relaxation and competitive C-$H_{methyl}$ and C-$H_{ring}$ bond dissociations in vibrationally excited methylpyrazine in the collision with HF have been studied by use of classical trajectory procedures. The energy lost by the vibrationally excited methylpyrazine upon collision is not large and it increases slowly with increasing total vibrational energy content between 20,000 and 45,000 $cm^{-1}$. Above the energy content of 45,000 $cm^{-1}$, however, energy loss decreases. The temperature dependence of energy loss is negligible between 200 and 400 K, but above 45,000 $cm^{-1}$ the energy loss increases as the temperature is raised. Energy transfer to or from the excited methyl C-H bond occurs in strong collisions with HF, that is, relatively large amount of translational energy is transferred in a single step. On the other hand, energy transfer to the ring C-H bond occurs in a series of small steps. When the total energy content ET of methylpyrazine is sufficiently high, either or both C-H bonds can dissociate. The C-$H_{methyl}$ dissociation probability is higher than the C-$H_{ring}$ dissociation probability. The dissociation of the ring C-H bond is not the result of the direct intermolecular energy flow from the direct collision between the ring C-H and HF but the result of the intramolecular flow of energy from the methyl group to the ring C-H stretch.

• Journal of the Korean Chemical Society
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• v.29 no.6
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• pp.592-598
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• 1985

The total vibrational deexcitation rate constants $k_{v,v-1}$ of HF(v = 5-7) by HF(${\mu}$ = 0) and DF(${\mu}$ = 9-12) by DF(${\mu}$= 0) including both the vibration to vibration (V ${\to}$ V) and vibration to rotation and translation (V ${\to}$ R, T) energy transfer channels have been calculated semiclas-sically using a simplified collision model. The calculated results are in reasonably good agreement with those obtained by experimental and other theoretical studies. The rate constants increase with increasing temperature and also with increasing v. They also show that the relaxation of the highly excited HF and DF occurs predominantly via the V ${\to}$ R, T path at low temperature. The effectiveness of the V ${\to}$ V path, however, increases as the temperature is raised.