Mechanism of wedge effect in splitting of chemical bond by impact of X2 -(C02)n onto silicon surface (X=Br, I)

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

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Dissociation of Br2 - (into Br and Br-) in a cluster anion, Br2 -(CO2)n, by impact of Br2 - (CO2)n on a silicon surface was investigated as a function of the number of CO2 molecules, n, at a collision energy per Br2 - of 30-50 eV. The branching fraction of the Br2 - dissociation used as a propensity of the Br2 - dissociation rate showed a marked n-dependence similar to that observed in the collisional dissociation of 12 -(CO2)n, on a silicon surface. The result is explained in terms of wedge effect in which a CO2 molecule at a midpoint of Br2 - splits the Br2 - bond as a wedge vs. cage effect in which the bond splitting of Br2 - in the CO2 solvent cage is suppressed. The agreement of the n-dependence between the Br2 -(CO2)n and I2 -(CO2)n collisions lends a further support for the validity of the bond splitting by the wedge action. A molecular dynamics simulation reproduces the wedge effect in the Br2 -(CO2)n collision, as well. The cage effect appearing in the vicinity of n=12 corresponds to the complettion of the first CO2 solvent shell as is the case of the I2 -(CO2)n collision.

Original languageEnglish
Pages (from-to)7443-7448
Number of pages6
JournalJournal of Chemical Physics
Volume110
Issue number15
DOIs
Publication statusPublished - Apr 15 1999
Externally publishedYes

Fingerprint

Chemical bonds
Silicon
chemical bonds
wedges
dissociation
collisions
silicon
Molecules
Anions
Molecular dynamics
molecules
molecular dynamics
anions
Computer simulation
simulation
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Mechanism of wedge effect in splitting of chemical bond by impact of X2 -(C02)n onto silicon surface (X=Br, I). / Kalmbach, Uwe; Yasumatsu, Hisato; Koizumi, Shin'ichi; Terasaki, Akira; Kondow, Tamotsu.

In: Journal of Chemical Physics, Vol. 110, No. 15, 15.04.1999, p. 7443-7448.

Research output: Contribution to journalArticle

Kalmbach, Uwe ; Yasumatsu, Hisato ; Koizumi, Shin'ichi ; Terasaki, Akira ; Kondow, Tamotsu. / Mechanism of wedge effect in splitting of chemical bond by impact of X2 -(C02)n onto silicon surface (X=Br, I). In: Journal of Chemical Physics. 1999 ; Vol. 110, No. 15. pp. 7443-7448.
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