Abstract
Surface-impact dissociation of I2- (CO2)n was studied by a molecular dynamics simulation in comparison with the experimental results. The branching fraction, fdis, of the I2- dissociation was calculated as a function of the parent cluster size, n. This computational result reproduces the experimental one. We calculated a number of the I2- dissociation events starting from given initial orientations. The most favorable molecular orientation obtained supports the wedge effect in which a CO2 molecule located at the waist position of the I2- core ion splits the I2- bond as if a piece of wood is split by a mechanical thrust against a wedge. The time profile of the wedge action calculated for the I2-(CO2) impact shows that more than 20 % of the collision energy is converted to the vibrational energy of the I2-.
| Original language | English |
|---|---|
| Pages (from-to) | 51-54 |
| Number of pages | 4 |
| Journal | Zeitschrift fur Physik D-Atoms Molecules and Clusters |
| Volume | 40 |
| Issue number | 1-4 |
| Publication status | Published - 1997 |
| Externally published | Yes |
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All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
Cite this
Dynamic solvation effects on surface-impact dissociation of I2- (CO2)n. / Yasumatsu, Hisato; Kalmbach, Uwe; Koizumi, Shin'ichi; Terasaki, Akira; Kondow, Tamotsu.
In: Zeitschrift fur Physik D-Atoms Molecules and Clusters, Vol. 40, No. 1-4, 1997, p. 51-54.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Dynamic solvation effects on surface-impact dissociation of I2- (CO2)n
AU - Yasumatsu, Hisato
AU - Kalmbach, Uwe
AU - Koizumi, Shin'ichi
AU - Terasaki, Akira
AU - Kondow, Tamotsu
PY - 1997
Y1 - 1997
N2 - Surface-impact dissociation of I2- (CO2)n was studied by a molecular dynamics simulation in comparison with the experimental results. The branching fraction, fdis, of the I2- dissociation was calculated as a function of the parent cluster size, n. This computational result reproduces the experimental one. We calculated a number of the I2- dissociation events starting from given initial orientations. The most favorable molecular orientation obtained supports the wedge effect in which a CO2 molecule located at the waist position of the I2- core ion splits the I2- bond as if a piece of wood is split by a mechanical thrust against a wedge. The time profile of the wedge action calculated for the I2-(CO2) impact shows that more than 20 % of the collision energy is converted to the vibrational energy of the I2-.
AB - Surface-impact dissociation of I2- (CO2)n was studied by a molecular dynamics simulation in comparison with the experimental results. The branching fraction, fdis, of the I2- dissociation was calculated as a function of the parent cluster size, n. This computational result reproduces the experimental one. We calculated a number of the I2- dissociation events starting from given initial orientations. The most favorable molecular orientation obtained supports the wedge effect in which a CO2 molecule located at the waist position of the I2- core ion splits the I2- bond as if a piece of wood is split by a mechanical thrust against a wedge. The time profile of the wedge action calculated for the I2-(CO2) impact shows that more than 20 % of the collision energy is converted to the vibrational energy of the I2-.
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M3 - Article
AN - SCOPUS:0002452388
VL - 40
SP - 51
EP - 54
JO - European Physical Journal D
JF - European Physical Journal D
SN - 1434-6060
IS - 1-4
ER -