Dynamic solvation effects on surface-impact dissociation of I2- (CO2)n

Hisato Yasumatsu, Uwe Kalmbach, Shin'ichi Koizumi, Akira Terasaki, Tamotsu Kondow

Research output: Contribution to journalArticle

14 Citations (Scopus)

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 languageEnglish
Pages (from-to)51-54
Number of pages4
JournalZeitschrift fur Physik D-Atoms Molecules and Clusters
Volume40
Issue number1-4
Publication statusPublished - 1997
Externally publishedYes

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wedges
solvation
dissociation
thrust
molecular dynamics
collisions
energy
profiles
molecules
ions
simulation

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 journalArticle

Yasumatsu, Hisato ; Kalmbach, Uwe ; Koizumi, Shin'ichi ; Terasaki, Akira ; Kondow, Tamotsu. / Dynamic solvation effects on surface-impact dissociation of I2- (CO2)n. In: Zeitschrift fur Physik D-Atoms Molecules and Clusters. 1997 ; Vol. 40, No. 1-4. pp. 51-54.
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